3-imino-1,1-dimethoxy-2,3,4,7-tetrahydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
Chemical Structure Depiction of
3-imino-1,1-dimethoxy-2,3,4,7-tetrahydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
3-imino-1,1-dimethoxy-2,3,4,7-tetrahydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile
Compound characteristics
| Compound ID: | 8014-2064 |
| Compound Name: | 3-imino-1,1-dimethoxy-2,3,4,7-tetrahydro-1H-4,7-ethanoisoindole-3a,7a-dicarbonitrile |
| Molecular Weight: | 272.3 |
| Molecular Formula: | C14 H16 N4 O2 |
| Smiles: | COC1(C2(C#N)C3CCC(C=C3)C2(C#N)C(=N)N1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1424 |
| logD: | 1.0737 |
| logSw: | -2.0584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.528 |
| InChI Key: | ZFOQLUDRHRQGCA-UHFFFAOYSA-N |