4-nitro-N'-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide
Molecular Formula : C15H11N5O4S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-nitro-N'-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide is a drug-like molecule.
MolName : 4-nitro-N'-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)benzohydrazide |
MolecularFormula : C15H11N5O4S2 |
Smiles : [O-][N+](c(cc1)ccc1C(NNC(CSc1c(ccs2)c2ncn1)=O)=O)=O |
InChI : InChI=1S/C15H11N5O4S2/c21-12(7-26-15-11-5-6-25-14(11)16-8-17-15)18-19-13(22)9-1-3-10(4-2-9)20(23)24/h1-6,8H,7H2,(H,18,21)(H,19,22) |
InChIK : MZIIWRIEILIRTI-UHFFFAOYSA-N |
TotalMolweight : 389.415 |
Molweight : 389.415 |
MonoisotopicMass : 389.025245 |
CLogP : 0.4784 |
CLogS : -5.037 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 274.42 |
Relative PSA : 0.50729 |
PolarSurfaceArea : 183.34 |
Druglikeness : -2.7736 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.61538 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
AcidicOxygens : 1 |
StereoCon : |