4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C20H16N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C20H16N3OClS |
| Smiles | O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C20H16ClN3OS/c21-18-5-7-19(8-6-18)26-14-16-1-3-17(4-2-16)20(25)24-23-13-15-9-11-22-12-10-15/h1-13H,14H2,(H,24,25) |
| InChIK | KKRFJCOLFPPNCX-UHFFFAOYSA-N |
| TotalMolweight | 381.886 |
| Molweight | 381.886 |
| MonoisotopicMass | 381.070259 |
| CLogP | 4.7681 |
| CLogS | -6.091 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.18 |
| Relative PSA | 0.22065 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | 4.73 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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