7-imino-2,4,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
Chemical Structure Depiction of
7-imino-2,4,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
7-imino-2,4,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
Compound characteristics
| Compound ID: | 8017-6202 |
| Compound Name: | 7-imino-2,4,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile |
| Molecular Weight: | 240.26 |
| Molecular Formula: | C13 H12 N4 O |
| Smiles: | CC1C=C(C)C2(C)C(C#N)(C#N)C1(C#N)C(=N)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4395 |
| logD: | 1.4392 |
| logSw: | -1.5522 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.424 |
| InChI Key: | QLFUGZXELNZSBS-UHFFFAOYSA-N |