3-(furan-2-yl)-5-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Chemical Structure Depiction of
3-(furan-2-yl)-5-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
3-(furan-2-yl)-5-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Compound characteristics
| Compound ID: | 8011-4906 |
| Compound Name: | 3-(furan-2-yl)-5-imino-1-methyl-7-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C20 H14 N4 O3 |
| Smiles: | CC12C(c3ccccc3)C(C#N)(C#N)C(C#N)(C(c3ccco3)O1)C(=N)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6104 |
| logD: | 2.604 |
| logSw: | -2.8421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.552 |
| InChI Key: | RHQCNXVWUHSVNE-UHFFFAOYSA-N |