1-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-cyclopentylethan-1-one
Chemical Structure Depiction of
1-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-cyclopentylethan-1-one
1-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-cyclopentylethan-1-one
Compound characteristics
| Compound ID: | D297-0025 |
| Compound Name: | 1-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-cyclopentylethan-1-one |
| Molecular Weight: | 454.96 |
| Molecular Formula: | C23 H27 Cl N6 O2 |
| Smiles: | C1CCC(C1)CC(N1CCCC(C1)c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4388 |
| logD: | 2.6345 |
| logSw: | -3.58 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.166 |
| InChI Key: | XMQJWLCMBBIRSP-KRWDZBQOSA-N |