N-(4-chlorophenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
N-(4-chlorophenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | D513-0299 |
| Compound Name: | N-(4-chlorophenyl)-4-{2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 387.85 |
| Molecular Formula: | C17 H14 Cl N5 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)C(Nc1ccc(cc1)[Cl])=O)=O)Sc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.1649 |
| logD: | 1.8104 |
| logSw: | -3.1185 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.633 |
| InChI Key: | CCJYIEDRVSYNRX-UHFFFAOYSA-N |