N-[4-(morpholine-4-carbonyl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(morpholine-4-carbonyl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[4-(morpholine-4-carbonyl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8017-0247 |
| Compound Name: | N-[4-(morpholine-4-carbonyl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 464.55 |
| Molecular Formula: | C23 H24 N6 O3 S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(Nc1ccc(cc1)C(N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.314 |
| logD: | 1.3013 |
| logSw: | -1.6668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.443 |
| InChI Key: | YQTLTYSKRGKCOO-UHFFFAOYSA-N |