4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
Formula:C19H15N2OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide |
| MolecularFormula | C19H15N2OClS2 |
| Smiles | O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C19H15ClN2OS2/c20-16-7-9-17(10-8-16)25-13-14-3-5-15(6-4-14)19(23)22-21-12-18-2-1-11-24-18/h1-12H,13H2,(H,22,23) |
| InChIK | ITCRYTGPBWAAOL-UHFFFAOYSA-N |
| TotalMolweight | 386.926 |
| Molweight | 386.926 |
| MonoisotopicMass | 386.03143 |
| CLogP | 5.6356 |
| CLogS | -6.896 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 289.36 |
| Relative PSA | 0.25525 |
| PolarSurfaceArea | 95 |
| Druglikeness | 6.0583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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