6-imino-1-methyl-8-phenyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Chemical Structure Depiction of
6-imino-1-methyl-8-phenyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
6-imino-1-methyl-8-phenyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Compound characteristics
| Compound ID: | 8015-0258 |
| Compound Name: | 6-imino-1-methyl-8-phenyl-3-(pyridin-3-yl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C21 H15 N5 O2 |
| Smiles: | CC12C(c3ccccc3)C(C#N)(C(=N)O2)C(C#N)(C#N)C(c2cccnc2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2457 |
| logD: | 2.2451 |
| logSw: | -2.0466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.858 |
| InChI Key: | HTIUHCFSDHKOSC-UHFFFAOYSA-N |