6-imino-1,8-dimethyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Chemical Structure Depiction of
6-imino-1,8-dimethyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
6-imino-1,8-dimethyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Compound characteristics
| Compound ID: | 8015-0256 |
| Compound Name: | 6-imino-1,8-dimethyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile |
| Molecular Weight: | 307.31 |
| Molecular Formula: | C16 H13 N5 O2 |
| Smiles: | CC1C2(C#N)C(=N)OC1(C)OC(c1cccnc1)C2(C#N)C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1206 |
| logD: | 1.1196 |
| logSw: | -0.9716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.129 |
| InChI Key: | RJKUKHAGEISJEX-UHFFFAOYSA-N |