2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | Y508-7025 |
| Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 484.41 |
| Molecular Formula: | C23 H19 Cl2 N5 O S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccccc1[Cl])=O)Nc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7303 |
| logD: | 4.7301 |
| logSw: | -4.8676 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.646 |
| InChI Key: | KUPBQCOJDKTQGV-UHFFFAOYSA-N |