Compound 155
  CheckMol                        TMF02:r0:m0
MF=C33H30N4O2 MW=514.63
 39 44  0  8  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    0.4726   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7133    1.9497   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5168   -0.5199   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.1978   -1.9733   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9348   -0.0473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7562   -2.4223   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.2967   -2.9658   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.0337   -1.0398   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.4372   -3.8757   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3663   -1.4061   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.7146   -2.4932   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.0044   -4.3247   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.8079   -1.8551   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.1269   -3.3085   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.5685   -3.7575   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6910   -2.7413   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.1680   -3.0367   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.5492   -1.2407   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9243   -1.7252   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.9361   -4.3247   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.9317   -0.6144   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2613   -0.4845   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4367   -1.7133   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -8.4485   -4.3129   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.2731    1.0280   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2048   -3.0013   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1929   -0.4017   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2048   -5.6008   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.9851    1.7842   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7054   -5.7426   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -8.6021   -6.9597   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
  -11.0244   -7.1960   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.7247   -7.9523   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.1488   -7.2551   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3360   -7.9286   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.7365   -9.4411   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -12.3479   -9.4175   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.0481  -10.1737   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10 02  0  1  0  0
  7 11 01  0  1  0  0
  8 12 02  0  1  0  0
 10 13 01  0  1  0  0
 11 14 02  0  1  0  0
 13 15 02  0  1  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18 01  0  1  0  0
 17 19 01  0  1  0  0
 18 20 02  0  2  0  0
 18 21 01  0  1  0  0
 19 22 02  0  1  0  0
 19 23  1  0  0  0  0
 20 24 01  0  1  0  0
 21 25 02  0  1  0  0
 23 26  1  0  0  0  0
 24 27 02  0  1  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 29 31 02  0  1  0  0
 29 32 01  0  1  0  0
 31 33 01  0  1  0  0
 32 34 01  0  1  0  0
 32 35  1  0  0  0  0
 33 36 01  0  1  0  0
 34 37 01  0  1  0  0
 36 38 02  0  1  0  0
 37 39 02  0  1  0  0
  9 12 01  0  1  0  0
 14 15 01  0  1  0  0
 20 22 01  0  1  0  0
 25 27 01  0  1  0  0
 33 34 02  0  2  0  0
 38 39 01  0  1  0  0
M  END

2D Structure

Telmisartan

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Chemical Name - Telmisartan
Mol Weight - 514.627
Smiles - CCCc1nc(c(C)cc(-c2nc(cccc3)c3n2C)c2)c2n1Cc(cc1)ccc1-c(cccc1)c1C(O)=O

Property Name	Property Value
Mol Name	Telmisartan
Molweight	514.627
Monoisotopic Mass	514.236876
Clogp	6.3757
Clogs	-6.799
H Acceptors	6
H Donors	1
Total Surface Area	399.82
Relative Psa	0.15462
Polar Surface Area	72.94
Druglikeness	0.95437
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.46154
Molecular Flexibility	0.36979
Molecular Complexity	0.9526
Fragments	1
Non H Atoms	39
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	30
Sp3 Atoms	7
Symmetric Atoms	2
Aromatic Nitrogens	4
Basic Nitrogens	2
Acidic Oxygens	1
Smiles	CCCc1nc(c(C)cc(-c2nc(cccc3)c3n2C)c2)c2n1Cc(cc1)ccc1-c(cccc1)c1C(O)=O
InChIKey	InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)
InChI	RMMXLENWKUUMAY-UHFFFAOYSA-N

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1 — Telmisartan | 2 — Telmisartan