2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | D203-0127 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-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: | 506.54 |
| Molecular Formula: | C26 H27 F N6 O4 |
| Smiles: | COc1ccc(CC(N2CCC(CC2)c2nc(c3c(n2)n(Cc2ccc(cc2)F)nn3)O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.2952 |
| logD: | 1.8412 |
| logSw: | -2.4494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.936 |
| InChI Key: | CHXBZDJCDMCBLK-UHFFFAOYSA-N |