4-[(4-chlorophenyl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
Formula:C19H15N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-pyridin-3-ylbenzamide is a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-pyridin-3-ylbenzamide |
| MolecularFormula | C19H15N2OClS |
| Smiles | O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)Nc1cnccc1 |
| InChI | InChI=1S/C19H15ClN2OS/c20-16-7-9-18(10-8-16)24-13-14-3-5-15(6-4-14)19(23)22-17-2-1-11-21-12-17/h1-12H,13H2,(H,22,23) |
| InChIK | CIRUYJVRCXVGET-UHFFFAOYSA-N |
| TotalMolweight | 354.86 |
| Molweight | 354.86 |
| MonoisotopicMass | 354.05936 |
| CLogP | 4.3736 |
| CLogS | -5.498 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 267.42 |
| Relative PSA | 0.19804 |
| PolarSurfaceArea | 67.29 |
| Druglikeness | 1.3214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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