1-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenylbutan-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-phenylbutan-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-phenylbutan-1-one
Compound characteristics
| Compound ID: | D297-0006 |
| 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-phenylbutan-1-one |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C26 H27 Cl N6 O2 |
| Smiles: | CCC(C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2017 |
| logD: | 3.7476 |
| logSw: | -4.3971 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | CFJJXIDWZDYAIS-OAQYLSRUSA-N |