1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenoxy)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-methylphenoxy)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-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | D297-0024 |
| 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-methylphenoxy)ethan-1-one |
| Molecular Weight: | 472.55 |
| Molecular Formula: | C26 H28 N6 O3 |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(COc4ccc(C)cc4)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9962 |
| logD: | 2.5422 |
| logSw: | -2.7797 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.174 |
| InChI Key: | CKGUOJMKNMAUSL-UHFFFAOYSA-N |