1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(2-chlorophenyl)ethan-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-(2-chlorophenyl)ethan-1-one
1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(2-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | D122-0052 |
| Compound Name: | 1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(2-chlorophenyl)ethan-1-one |
| Molecular Weight: | 462.94 |
| Molecular Formula: | C24 H23 Cl N6 O2 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccccc1)nn2)O)C(Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.361 |
| logD: | 2.907 |
| logSw: | -3.1823 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.675 |
| InChI Key: | ODYYLUPUNDBCQV-UHFFFAOYSA-N |