1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one
1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | D297-0051 |
| Compound Name: | 1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H25 F N6 O3 |
| Smiles: | Cc1ccc(cc1)OCC(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(cc1)F)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6019 |
| logD: | 2.1479 |
| logSw: | -2.5843 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.174 |
| InChI Key: | PNKNHESIUFQVRA-UHFFFAOYSA-N |