N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-{[4-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]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-(propan-2-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | D614-0060 |
| 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-(propan-2-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C24 H24 F N5 O2 |
| Smiles: | [H]C([H])(c1ccc(cc1)C(C)C)N(C(c1ccc(cc1)F)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8423 |
| logD: | 4.4619 |
| logSw: | -4.4874 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | HPLLBBLJSMYHRH-UHFFFAOYSA-N |