6-imino-8-(4-methoxyphenyl)-1-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Chemical Structure Depiction of
6-imino-8-(4-methoxyphenyl)-1-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
6-imino-8-(4-methoxyphenyl)-1-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-8038 |
| Compound Name: | 6-imino-8-(4-methoxyphenyl)-1-methyl-3-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C23 H18 N4 O3 |
| Smiles: | CC12C(c3ccc(cc3)OC)C(C#N)(C(=N)O2)C(C#N)(C#N)C(c2ccccc2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4314 |
| logD: | 3.4308 |
| logSw: | -3.6143 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.884 |
| InChI Key: | FAKNDEMBOWVTOB-UHFFFAOYSA-N |