5-(4-methoxyphenyl)-1-methyl-8-oxobicyclo[2.2.2]octane-2,2,3,3-tetracarbonitrile
Chemical Structure Depiction of
5-(4-methoxyphenyl)-1-methyl-8-oxobicyclo[2.2.2]octane-2,2,3,3-tetracarbonitrile
5-(4-methoxyphenyl)-1-methyl-8-oxobicyclo[2.2.2]octane-2,2,3,3-tetracarbonitrile
Compound characteristics
| Compound ID: | 8011-9101 |
| Compound Name: | 5-(4-methoxyphenyl)-1-methyl-8-oxobicyclo[2.2.2]octane-2,2,3,3-tetracarbonitrile |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C20 H16 N4 O2 |
| Smiles: | CC12CC(C(C(C1)=O)C(C#N)(C#N)C2(C#N)C#N)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4755 |
| logD: | -0.0785 |
| logSw: | -2.9149 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 89.096 |
| InChI Key: | QBQVXYQRBNNTGT-UHFFFAOYSA-N |