N-(3,4-dimethoxyphenyl)-2-{[5-(1,3-dimethyl-1H-pyrazol-4-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{[5-(1,3-dimethyl-1H-pyrazol-4-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,4-dimethoxyphenyl)-2-{[5-(1,3-dimethyl-1H-pyrazol-4-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y501-5210 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[5-(1,3-dimethyl-1H-pyrazol-4-yl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C25 H28 N6 O4 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2cn(C)nc2C)nnc1SCC(Nc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8645 |
| logD: | 2.8645 |
| logSw: | -3.4062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.408 |
| InChI Key: | XQEZBYBDEBPWRT-UHFFFAOYSA-N |