4-acetyl-7-imino-2,2,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
Chemical Structure Depiction of
4-acetyl-7-imino-2,2,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
4-acetyl-7-imino-2,2,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile
Compound characteristics
| Compound ID: | 8008-6013 |
| Compound Name: | 4-acetyl-7-imino-2,2,5-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene-1,8,8-tricarbonitrile |
| Molecular Weight: | 282.3 |
| Molecular Formula: | C15 H14 N4 O2 |
| Smiles: | CC(C1=CC(C)(C)C2(C#N)C(=N)OC1(C)C2(C#N)C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.399 |
| logD: | 1.3989 |
| logSw: | -1.619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.25 |
| InChI Key: | QEVYITONZVDBGN-UHFFFAOYSA-N |