2,4-dibutyl-7-imino-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
Chemical Structure Depiction of
2,4-dibutyl-7-imino-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
2,4-dibutyl-7-imino-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-8686 |
| Compound Name: | 2,4-dibutyl-7-imino-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile |
| Molecular Weight: | 310.4 |
| Molecular Formula: | C18 H22 N4 O |
| Smiles: | CCCCC1C=C(CCCC)C2C(C#N)(C#N)C1(C#N)C(=N)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9903 |
| logD: | 3.9899 |
| logSw: | -4.022 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.126 |
| InChI Key: | DTLWILAKCKHRRP-UHFFFAOYSA-N |