N-(4-chloro-2-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chloro-2-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | IB08-0949 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C23 H20 Cl N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(c2ccncc2)nnc1SCC(Nc1ccc(cc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.82 |
| logD: | 4.81 |
| logSw: | -5.65 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.43 |
| InChI Key: | ZOIBYULTJZFDFV-UHFFFAOYSA-N |