N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-6304 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C21 H23 Cl N4 O3 S |
| Smiles: | CCn1c(c2ccccc2C)nnc1SCC(Nc1cc(c(cc1OC)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2016 |
| logD: | 4.1736 |
| logSw: | -4.4905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.678 |
| InChI Key: | JQRXILMLALQNDO-UHFFFAOYSA-N |