3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of
3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | D527-0117 |
| Compound Name: | 3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]propanamide |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C24 H22 F3 N5 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(Nc2cccc(c2)C(F)(F)F)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8153 |
| logD: | 4.8119 |
| logSw: | -4.5216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.357 |
| InChI Key: | JDIGMRXLYXRAMY-UHFFFAOYSA-N |