2-{[4-(2-hydroxyethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[4-(2-hydroxyethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[4-(2-hydroxyethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D727-0572 |
| Compound Name: | 2-{[4-(2-hydroxyethyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 279.32 |
| Molecular Formula: | C11 H13 N5 O2 S |
| Smiles: | C(CO)n1c(c2cccnc2)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7836 |
| logD: | -0.8004 |
| logSw: | -0.8198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.052 |
| InChI Key: | NUMSEBJTZJZOPG-UHFFFAOYSA-N |