4-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]benzonitrile
Chemical Structure Depiction of
4-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]benzonitrile
4-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]benzonitrile
Compound characteristics
| Compound ID: | 3257-4857 |
| Compound Name: | 4-[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]benzonitrile |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C22 H16 N2 O3 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccccc1Oc1ccc(C#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7751 |
| logD: | 2.7751 |
| logSw: | -3.3981 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.314 |
| InChI Key: | SXMURYUIKQGWGU-UHFFFAOYSA-N |