2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-9716 |
| Compound Name: | 2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C20 H15 F3 N6 O S |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)Sc1nnc(c2ccncc2)n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7551 |
| logD: | 3.7541 |
| logSw: | -3.9794 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.724 |
| InChI Key: | VESDDVQECCXZQS-UHFFFAOYSA-N |