(2H-1,3-benzodioxol-5-yl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2H-1,3-benzodioxol-5-yl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D203-0061 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C25 H24 N6 O4 |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(c4ccc5c(c4)OCO5)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.63 |
| logD: | 2.176 |
| logSw: | -2.6338 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.317 |
| InChI Key: | NRFKVFGSKMWWPO-UHFFFAOYSA-N |