1-(3-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-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-(3-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
1-(3-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D297-0022 |
| Compound Name: | 1-(3-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Smiles: | Cc1ccc(CC(N2CCCC(C2)c2nc(c3c(n2)n(Cc2cc(C)ccc2C)nn3)O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3568 |
| logD: | 3.5526 |
| logSw: | -4.1578 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.608 |
| InChI Key: | VMTCJJNROCQOJI-NRFANRHFSA-N |