2-(4-ethoxyphenyl)-1-(4-{3-[(4-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-(4-ethoxyphenyl)-1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-(4-ethoxyphenyl)-1-(4-{3-[(4-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: | D203-0124 |
| Compound Name: | 2-(4-ethoxyphenyl)-1-(4-{3-[(4-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C26 H27 F N6 O3 |
| Smiles: | CCOc1ccc(CC(N2CCC(CC2)c2nc(c3c(n2)n(Cc2ccc(cc2)F)nn3)O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0456 |
| logD: | 2.5916 |
| logSw: | -2.8607 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.798 |
| InChI Key: | QKBBTORFOPFBPX-UHFFFAOYSA-N |