N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y203-0071 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 338.86 |
| Molecular Formula: | C15 H19 Cl N4 O S |
| Smiles: | CC(C)c1nnc(n1C)SCC(Nc1cccc(c1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1825 |
| logD: | 3.1823 |
| logSw: | -3.437 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.774 |
| InChI Key: | PNDFIUSYSUDLCB-UHFFFAOYSA-N |