1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(3-chlorophenyl)butan-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-(3-chlorophenyl)butan-1-one
1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(3-chlorophenyl)butan-1-one
Compound characteristics
| Compound ID: | D327-0151 |
| Compound Name: | 1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(3-chlorophenyl)butan-1-one |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C26 H27 Cl N6 O2 |
| Smiles: | CCC(C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1)nn2)O)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1816 |
| logD: | 3.7275 |
| logSw: | -4.3981 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | YJXLYZSHTISGTP-OAQYLSRUSA-N |