3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-fluorophenyl)propanamide
Chemical Structure Depiction of
3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-fluorophenyl)propanamide
3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-fluorophenyl)propanamide
Compound characteristics
| Compound ID: | D527-0075 |
| Compound Name: | 3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-fluorophenyl)propanamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C22 H20 F N5 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(Nc2cccc(c2)F)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3876 |
| logD: | 3.3866 |
| logSw: | -3.8408 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.398 |
| InChI Key: | GPKLIJBLGOUEPX-UHFFFAOYSA-N |