N-(4-chlorophenyl)-2-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y600-1507 |
| Compound Name: | N-(4-chlorophenyl)-2-{[4-(2,4-dimethylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 455 |
| Molecular Formula: | C22 H19 Cl N4 O S2 |
| Smiles: | Cc1ccc(c(C)c1)n1c(c2cccs2)nnc1SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1769 |
| logD: | 6.1768 |
| logSw: | -6.1334 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.579 |
| InChI Key: | IKARHESXISFINW-UHFFFAOYSA-N |