(3-chlorophenyl)(3-{3-[(3,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(3-chlorophenyl)(3-{3-[(3,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(3-chlorophenyl)(3-{3-[(3,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D023-0021 |
| Compound Name: | (3-chlorophenyl)(3-{3-[(3,4-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(c1cccc(c1)[Cl])=O)c1nc(c2c(n1)n(Cc1ccc(c(c1)F)F)nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2086 |
| logD: | 2.4043 |
| logSw: | -3.3806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.135 |
| InChI Key: | XMVLOLMJNYATNW-HNNXBMFYSA-N |