(2,5-dimethylphenyl)(4-{3-[(4-ethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2,5-dimethylphenyl)(4-{3-[(4-ethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2,5-dimethylphenyl)(4-{3-[(4-ethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D023-0008 |
| Compound Name: | (2,5-dimethylphenyl)(4-{3-[(4-ethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C27 H30 N6 O2 |
| Smiles: | CCc1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(c4cc(C)ccc4C)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.279 |
| logD: | 3.8249 |
| logSw: | -4.0359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | YZLJYXWYMKADER-UHFFFAOYSA-N |