N-(4-chloro-2-methylphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chloro-2-methylphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y600-1516 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C21 H23 Cl N4 O3 S |
| Smiles: | CCn1c(c2cc(cc(c2)OC)OC)nnc1SCC(Nc1ccc(cc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6572 |
| logD: | 4.6569 |
| logSw: | -4.7333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.505 |
| InChI Key: | VLXVCYYIGBVJJG-UHFFFAOYSA-N |