2-[rel-(4R,7R)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl]benzonitrile
Chemical Structure Depiction of
2-[rel-(4R,7R)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl]benzonitrile
2-[rel-(4R,7R)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl]benzonitrile
Compound characteristics
| Compound ID: | 4917-0035 |
| Compound Name: | 2-[rel-(4R,7R)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl]benzonitrile |
| Molecular Weight: | 278.31 |
| Molecular Formula: | C17 H14 N2 O2 |
| Smiles: | C1C[C@@H]2C=C[C@@H]1C1C2C(N(C1=O)c1ccccc1C#N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7207 |
| logD: | 1.7207 |
| logSw: | -2.4636 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.748 |
| InChI Key: | GIAHABIRNMVEKT-UHFFFAOYSA-N |