1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one
1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | D327-0159 |
| Compound Name: | 1-(3-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-phenoxyethan-1-one |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C25 H26 N6 O3 |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCCN(C4)C(COc4ccccc4)=O)n3)O)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6118 |
| logD: | 1.8076 |
| logSw: | -2.5375 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.107 |
| InChI Key: | IYCFVNYCQIRLJD-IBGZPJMESA-N |