2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C592-3845 |
| Compound Name: | 2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 435.43 |
| Molecular Formula: | C19 H16 F3 N5 O2 S |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCC(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9834 |
| logD: | 3.982 |
| logSw: | -4.0401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.734 |
| InChI Key: | CTAXBZIMPIMGBM-UHFFFAOYSA-N |