1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)butan-1-one
Chemical Structure Depiction of
1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)butan-1-one
1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | D203-0107 |
| Compound Name: | 1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)butan-1-one |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C20 H23 F N6 O2 |
| Smiles: | CCCC(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3926 |
| logD: | 1.9386 |
| logSw: | -2.317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.946 |
| InChI Key: | WSESQPXQXUZRFX-UHFFFAOYSA-N |