2-(4-fluorophenoxy)-1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-(4-fluorophenoxy)-1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D327-0158 |
| Compound Name: | 2-(4-fluorophenoxy)-1-(3-{7-hydroxy-3-[(4-methylphenyl)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: | Cc1ccc(Cn2c3c(c(nc(C4CCCN(C4)C(COc4ccc(cc4)F)=O)n3)O)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6694 |
| logD: | 1.8652 |
| logSw: | -2.6171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.107 |
| InChI Key: | UZNZZWJRSQSZAH-SFHVURJKSA-N |