N-(2,5-dimethoxyphenyl)-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,5-dimethoxyphenyl)-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0162 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{[5-methyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C16 H20 N4 O3 S |
| Smiles: | Cc1nnc(n1CC=C)SCC(Nc1cc(ccc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6882 |
| logD: | 1.6878 |
| logSw: | -2.5231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.893 |
| InChI Key: | DXVPIPFYOOGXPQ-UHFFFAOYSA-N |