2-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzonitrile
Chemical Structure Depiction of
2-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzonitrile
2-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzonitrile
Compound characteristics
| Compound ID: | 8009-0362 |
| Compound Name: | 2-(4,7-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzonitrile |
| Molecular Weight: | 294.31 |
| Molecular Formula: | C17 H14 N2 O3 |
| Smiles: | CC12C=CC(C)(C3C1C(N(C3=O)c1ccccc1C#N)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3 |
| logD: | 1.3 |
| logSw: | -1.9531 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.854 |
| InChI Key: | IUJJKQHHRIGGGK-UHFFFAOYSA-N |