2-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C592-3860 |
| Compound Name: | 2-{[5-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | COc1ccc(cc1)n1c(c2ccc(c(c2)OC)OC)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2313 |
| logD: | 2.2313 |
| logSw: | -2.7903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.176 |
| InChI Key: | PLJLXFFJRYDPPX-UHFFFAOYSA-N |