2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(2-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(2-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(2-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D122-0058 |
| Compound Name: | 2-(4-fluorophenyl)-1-(4-{7-hydroxy-3-[(2-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H25 F N6 O3 |
| Smiles: | COc1ccccc1Cn1c2c(c(nc(C3CCN(CC3)C(Cc3ccc(cc3)F)=O)n2)O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.801 |
| logD: | 2.347 |
| logSw: | -2.9584 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.305 |
| InChI Key: | KAQNKTXLZZAIJI-UHFFFAOYSA-N |