N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzamide
N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | D524-2464 |
| Compound Name: | N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C23 H22 F N5 O4 |
| Smiles: | [H]C([H])(c1ccc(cc1)F)N(C(c1ccc(c(c1)OC)OC)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0442 |
| logD: | 2.6639 |
| logSw: | -3.2493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.062 |
| InChI Key: | NHTARKVPZNIUEI-UHFFFAOYSA-N |