(4-{3-[(2,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Chemical Structure Depiction of
(4-{3-[(2,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
(4-{3-[(2,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | D023-0036 |
| Compound Name: | (4-{3-[(2,4-difluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone |
| Molecular Weight: | 464.47 |
| Molecular Formula: | C24 H22 F2 N6 O2 |
| Smiles: | Cc1ccc(cc1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(cc1F)F)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1439 |
| logD: | 2.6899 |
| logSw: | -2.8266 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | HGJAOELIAXQZHD-UHFFFAOYSA-N |