(4-{3-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | D203-0160 |
| Compound Name: | (4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C25 H24 N6 O4 |
| Smiles: | Cc1ccc(cc1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc3c(c1)OCO3)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6629 |
| logD: | 2.2088 |
| logSw: | -2.6744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.317 |
| InChI Key: | XUWXXGQMPXLSBH-UHFFFAOYSA-N |