2-(6-benzyl-5-methyl-7-oxo-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl)-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-(6-benzyl-5-methyl-7-oxo-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl)-N-[(oxolan-2-yl)methyl]acetamide
2-(6-benzyl-5-methyl-7-oxo-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl)-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D584-4061 |
| Compound Name: | 2-(6-benzyl-5-methyl-7-oxo-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl)-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C26 H27 N5 O3 |
| Smiles: | [H]C([H])(C1=C(C)N(CC(NCC2CCCO2)=O)c2nc(c3ccccc3)nn2C1=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0627 |
| logD: | 3.0627 |
| logSw: | -3.1547 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.337 |
| InChI Key: | HQLKTIQEYNHETC-OAQYLSRUSA-N |