N-(2-ethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-ethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9578 |
| Compound Name: | N-(2-ethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C20 H21 N5 O S |
| Smiles: | CCc1ccccc1NC(CSc1nnc(c2ccccn2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2959 |
| logD: | 3.2959 |
| logSw: | -3.3677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.718 |
| InChI Key: | KDEMNLROMDLJLY-UHFFFAOYSA-N |