1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-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)-2-(4-methylphenyl)ethan-1-one
1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D327-0155 |
| Compound Name: | 1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C26 H28 N6 O2 |
| Smiles: | Cc1ccc(CC(N2CCC(CC2)c2nc(c3c(n2)n(Cc2ccc(C)cc2)nn3)O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4944 |
| logD: | 3.0403 |
| logSw: | -3.1463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.675 |
| InChI Key: | VJVCYYWVXKPAHB-UHFFFAOYSA-N |