N-(2,6-dichlorophenyl)-2-({5-[(3-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,6-dichlorophenyl)-2-({5-[(3-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2,6-dichlorophenyl)-2-({5-[(3-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y500-4887 |
| Compound Name: | N-(2,6-dichlorophenyl)-2-({5-[(3-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 498.43 |
| Molecular Formula: | C24 H21 Cl2 N5 O S |
| Smiles: | Cc1cccc(c1)NCc1nnc(n1c1ccccc1)SCC(Nc1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4457 |
| logD: | 5.4375 |
| logSw: | -5.9037 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.949 |
| InChI Key: | IVDSZFAUUZPCSA-UHFFFAOYSA-N |