2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 8013-9176 |
| Compound Name: | 2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 463.99 |
| Molecular Formula: | C24 H22 Cl N5 O S |
| Smiles: | Cc1ccccc1NC(CSc1nnc(CNc2cccc(c2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5056 |
| logD: | 4.5056 |
| logSw: | -4.5348 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.646 |
| InChI Key: | PKEOQAAYBCVFQK-UHFFFAOYSA-N |