N-benzyl-2-{[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F019-0433 |
| Compound Name: | N-benzyl-2-{[5-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 463 |
| Molecular Formula: | C25 H23 Cl N4 O S |
| Smiles: | Cc1ccc(cc1C)n1c(c2ccc(cc2)[Cl])nnc1SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1654 |
| logD: | 6.1654 |
| logSw: | -6.1531 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.184 |
| InChI Key: | IQPLUACDMBQWND-UHFFFAOYSA-N |