[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Formula:C23H26N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is a drug-like molecule.
| MolName | [6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| MolecularFormula | C23H26N2O6S |
| Smiles | CCc(c(OC([C@H](C)NC(OC(C)(C)C)=O)=O)c1)cc2c1OC=C(c1nc(C)cs1)C2=O |
| InChI | InChI=1S/C23H26N2O6S/c1-7-14-8-15-18(29-10-16(19(15)26)20-24-12(2)11-32-20)9-17(14)30-21(27)13(3)25-22(28)31-23(4,5)6/h8-11,13H,7H2,1-6H3,(H,25,28)/t13-/m0/s1 |
| InChIK | KIDZZKYMUDEESO-ZDUSSCGKSA-N |
| TotalMolweight | 458.533 |
| Molweight | 458.533 |
| MonoisotopicMass | 458.151158 |
| CLogP | 3.4309 |
| CLogS | -5.063 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 343.87 |
| Relative PSA | 0.32544 |
| PolarSurfaceArea | 132.06 |
| Druglikeness | -56.151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate | 2 - [6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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