3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of
3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | D527-0317 |
| Compound Name: | 3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]propanamide |
| Molecular Weight: | 481.48 |
| Molecular Formula: | C25 H22 F3 N5 O2 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CCC(Nc2cccc(c2)C(F)(F)F)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0012 |
| logD: | 4.9979 |
| logSw: | -4.612 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.61 |
| InChI Key: | WGJPESPIGKCJAC-UHFFFAOYSA-N |