N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9371 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.89 |
| Molecular Formula: | C18 H18 Cl N5 O3 S |
| Smiles: | Cn1c(c2ccccn2)nnc1SCC(Nc1cc(c(cc1OC)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2588 |
| logD: | 2.2307 |
| logSw: | -3.1658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.811 |
| InChI Key: | WTIPGSGENOAPKD-UHFFFAOYSA-N |