2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-fluorophenyl)methyl]acetamide
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | D584-0247 |
| Compound Name: | 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C28 H24 F N5 O2 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CC(NCc2ccc(cc2)F)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.628 |
| logD: | 4.628 |
| logSw: | -4.405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.682 |
| InChI Key: | SVGZDKLVRSCGIF-UHFFFAOYSA-N |