N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | D524-2486 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-methylphenyl)methyl]benzamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C22 H20 F N5 O2 |
| Smiles: | [H]C([H])(c1ccc(C)cc1)N(C(c1ccc(cc1)F)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9275 |
| logD: | 3.5471 |
| logSw: | -3.9747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | IJTMZFOBAIIAIE-UHFFFAOYSA-N |