2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G731-0277 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(3,4,5-triethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C23 H27 Cl N4 O4 S |
| Smiles: | CCOc1cc(CNC(CSc2nnc(c3ccccc3[Cl])[nH]2)=O)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.5511 |
| logD: | 2.3593 |
| logSw: | -3.8657 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.663 |
| InChI Key: | OBZVIIBCBOOBTF-UHFFFAOYSA-N |