6-imino-1,8-dimethyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Chemical Structure Depiction of
6-imino-1,8-dimethyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
6-imino-1,8-dimethyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-7803 |
| Compound Name: | 6-imino-1,8-dimethyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C17 H14 N4 O2 |
| Smiles: | CC1C2(C#N)C(=N)OC1(C)OC(c1ccccc1)C2(C#N)C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3282 |
| logD: | 2.3272 |
| logSw: | -2.6327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.612 |
| InChI Key: | JFBSBMMPUOIPEY-UHFFFAOYSA-N |