1-(4-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-1-one
Chemical Structure Depiction of
1-(4-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-1-one
1-(4-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-1-one
Compound characteristics
| Compound ID: | D297-0019 |
| Compound Name: | 1-(4-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)propan-1-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C28 H32 N6 O2 |
| Smiles: | CC(C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1cc(C)ccc1C)nn2)O)=O)c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9404 |
| logD: | 4.4863 |
| logSw: | -4.4164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | OPKJPYVUTPYKCE-HXUWFJFHSA-N |