3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-fluoro-2-methylphenyl)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-(5-fluoro-2-methylphenyl)propanamide
3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-fluoro-2-methylphenyl)propanamide
Compound characteristics
| Compound ID: | D527-0078 |
| Compound Name: | 3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-fluoro-2-methylphenyl)propanamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C23 H22 F N5 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(Nc2cc(ccc2C)F)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1566 |
| logD: | 3.1548 |
| logSw: | -3.2773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.7 |
| InChI Key: | AOEHAMUGYDZBTQ-UHFFFAOYSA-N |