N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | D494-0556 |
| Compound Name: | N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 441.41 |
| Molecular Formula: | C21 H18 F3 N7 O |
| Smiles: | Cc1cc(NCCC(Nc2cccc(c2)C(F)(F)F)=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.9177 |
| logD: | 2.7628 |
| logSw: | -3.0482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.671 |
| InChI Key: | CIAYJWBOOYXACQ-UHFFFAOYSA-N |