3-imino-1,7,7-trimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Chemical Structure Depiction of
3-imino-1,7,7-trimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
3-imino-1,7,7-trimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-8768 |
| Compound Name: | 3-imino-1,7,7-trimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile |
| Molecular Weight: | 320.35 |
| Molecular Formula: | C18 H16 N4 O2 |
| Smiles: | CC1(C)C(C#N)(C#N)C2(C#N)C(c3ccccc3)OC1(C)OC2=N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6214 |
| logD: | 2.6212 |
| logSw: | -2.8467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.245 |
| InChI Key: | BTCWQHCNVZGUGV-UHFFFAOYSA-N |