(2-chlorophenyl)(3-{3-[(2,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2-chlorophenyl)(3-{3-[(2,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2-chlorophenyl)(3-{3-[(2,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0026 |
| Compound Name: | (2-chlorophenyl)(3-{3-[(2,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 484.89 |
| Molecular Formula: | C23 H19 Cl F2 N6 O2 |
| Smiles: | C1CC(CN(C1)C(c1ccccc1[Cl])=O)c1nc(c2c(n1)n(Cc1ccc(cc1F)F)nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1706 |
| logD: | 2.3663 |
| logSw: | -3.5306 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.135 |
| InChI Key: | HWNURGXLHBZLNP-AWEZNQCLSA-N |