6-imino-1-methyl-3,8-diphenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Chemical Structure Depiction of
6-imino-1-methyl-3,8-diphenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
6-imino-1-methyl-3,8-diphenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Compound characteristics
| Compound ID: | 8012-9147 |
| Compound Name: | 6-imino-1-methyl-3,8-diphenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C22 H16 N4 O2 |
| Smiles: | CC12C(c3ccccc3)C(C#N)(C(=N)O2)C(C#N)(C#N)C(c2ccccc2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4533 |
| logD: | 3.4527 |
| logSw: | -3.5903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.34 |
| InChI Key: | SECSTAJUVLINRG-UHFFFAOYSA-N |