1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-3,3-dimethylbutan-1-one
1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | 6732-0205 |
| Compound Name: | 1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-3,3-dimethylbutan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(CC(C)(C)C)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2684 |
| logD: | 2.8144 |
| logSw: | -2.8774 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.946 |
| InChI Key: | UCFAPGIWKPGYAV-UHFFFAOYSA-N |