2-(2-chloro-4-fluorophenyl)-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-(2-chloro-4-fluorophenyl)-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-(2-chloro-4-fluorophenyl)-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: | D203-0126 |
| Compound Name: | 2-(2-chloro-4-fluorophenyl)-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: | 498.92 |
| Molecular Formula: | C24 H21 Cl F2 N6 O2 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccc(cc1)F)nn2)O)C(Cc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6309 |
| logD: | 3.1769 |
| logSw: | -3.6342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.675 |
| InChI Key: | WLOORAXOHQEOOP-UHFFFAOYSA-N |