2-(2H-1,3-benzodioxol-5-yl)-1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-(2H-1,3-benzodioxol-5-yl)-1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D203-0097 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 490.49 |
| Molecular Formula: | C25 H23 F N6 O4 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)C(Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8771 |
| logD: | 2.423 |
| logSw: | -3.0204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.79 |
| InChI Key: | SNFDRMNVBHXSKB-UHFFFAOYSA-N |