2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | Y508-3182 |
| Compound Name: | 2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 498.43 |
| Molecular Formula: | C24 H21 Cl2 N5 O S |
| Smiles: | Cc1cc(ccc1NCc1nnc(n1c1ccccc1)SCC(Nc1ccccc1[Cl])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2939 |
| logD: | 5.2938 |
| logSw: | -5.8397 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.949 |
| InChI Key: | DMZPFYGLOBTZFI-UHFFFAOYSA-N |