1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(2-methylphenyl)ethan-1-one
1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D297-0003 |
| Compound Name: | 1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C25 H25 Cl N6 O2 |
| Smiles: | Cc1ccccc1CC(N1CCC(CC1)c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0599 |
| logD: | 3.6059 |
| logSw: | -4.1724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.675 |
| InChI Key: | UANGPHQXJFLOPN-UHFFFAOYSA-N |