4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzonitrile
Chemical Structure Depiction of
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzonitrile
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzonitrile
Compound characteristics
| Compound ID: | 4917-0020 |
| Compound Name: | 4-(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: | C1CC2C=CC1C1C2C(N(C1=O)c1ccc(C#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6236 |
| logD: | 1.6236 |
| logSw: | -1.9813 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.049 |
| InChI Key: | BRDPNLKTJYXCLI-UHFFFAOYSA-N |