1-(4-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
1-(4-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D297-0009 |
| Compound Name: | 1-(4-{3-[(3-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C25 H25 F N6 O2 |
| Smiles: | Cc1ccc(CC(N2CCC(CC2)c2nc(c3c(n2)n(Cc2cccc(c2)F)nn3)O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1932 |
| logD: | 2.7391 |
| logSw: | -2.8773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.675 |
| InChI Key: | NAFMDIBCKIRSQH-UHFFFAOYSA-N |