N-(4-chlorophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chlorophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y600-1517 |
| Compound Name: | N-(4-chlorophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C24 H21 Cl N4 O3 S |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2278 |
| logD: | 5.2277 |
| logSw: | -5.7226 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.949 |
| InChI Key: | QSQOMZRZFLCAOZ-UHFFFAOYSA-N |