3-imino-7-methyl-1-phenyl-5-(propan-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Chemical Structure Depiction of
3-imino-7-methyl-1-phenyl-5-(propan-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
3-imino-7-methyl-1-phenyl-5-(propan-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-8748 |
| Compound Name: | 3-imino-7-methyl-1-phenyl-5-(propan-2-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile |
| Molecular Weight: | 334.38 |
| Molecular Formula: | C19 H18 N4 O2 |
| Smiles: | CC(C)C1C2(C#N)C(=N)OC(C(C)C2(C#N)C#N)(c2ccccc2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0806 |
| logD: | 3.0804 |
| logSw: | -3.3427 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.15 |
| InChI Key: | AWVLKHRRXYAQTC-UHFFFAOYSA-N |