3-(3-fluorophenyl)-6-imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Chemical Structure Depiction of
3-(3-fluorophenyl)-6-imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
3-(3-fluorophenyl)-6-imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Compound characteristics
| Compound ID: | 8015-8906 |
| Compound Name: | 3-(3-fluorophenyl)-6-imino-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile |
| Molecular Weight: | 324.31 |
| Molecular Formula: | C17 H13 F N4 O2 |
| Smiles: | CC1C2(C#N)C(=N)OC1(C)OC(c1cccc(c1)F)C2(C#N)C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3803 |
| logD: | 2.3793 |
| logSw: | -2.7239 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.612 |
| InChI Key: | WKUYPBGUPZBBBB-UHFFFAOYSA-N |