1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one
Chemical Structure Depiction of
1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one
1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one
Compound characteristics
| Compound ID: | D297-0018 |
| Compound Name: | 1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C26 H28 N6 O2 |
| Smiles: | CC(C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1)nn2)O)=O)c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.722 |
| logD: | 3.268 |
| logSw: | -3.8762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | DBEVHBBAHLJSPS-GOSISDBHSA-N |