N-(3-methylphenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
N-(3-methylphenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
N-(3-methylphenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | D513-0294 |
| Compound Name: | N-(3-methylphenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 367.43 |
| Molecular Formula: | C18 H17 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(c1ccc(cc1)NC(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9301 |
| logD: | 1.5756 |
| logSw: | -2.6416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.633 |
| InChI Key: | XMTKNPXIPGBRNH-UHFFFAOYSA-N |