3-imino-1,7-dimethyl-5-(pyridin-4-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Chemical Structure Depiction of
3-imino-1,7-dimethyl-5-(pyridin-4-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
3-imino-1,7-dimethyl-5-(pyridin-4-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Compound characteristics
| Compound ID: | 8012-0022 |
| Compound Name: | 3-imino-1,7-dimethyl-5-(pyridin-4-yl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile |
| Molecular Weight: | 307.31 |
| Molecular Formula: | C16 H13 N5 O2 |
| Smiles: | CC1C(C#N)(C#N)C2(C#N)C(c3ccncc3)OC1(C)OC2=N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1662 |
| logD: | 1.1646 |
| logSw: | -1.2953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.674 |
| InChI Key: | JZFFCGJCFRUNOP-UHFFFAOYSA-N |