2-({5-[(3-chloroanilino)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(3-chloroanilino)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
2-({5-[(3-chloroanilino)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C592-3822 |
| Compound Name: | 2-({5-[(3-chloroanilino)methyl]-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 492.04 |
| Molecular Formula: | C26 H26 Cl N5 O S |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc(CNc2cccc(c2)[Cl])n1c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1887 |
| logD: | 6.1887 |
| logSw: | -6.0826 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.043 |
| InChI Key: | ZSMGQPBGWXPNIE-UHFFFAOYSA-N |