4-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]benzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]benzene-1,2-dicarbonitrile
4-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]benzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 3257-4812 |
| Compound Name: | 4-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]benzene-1,2-dicarbonitrile |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C23 H15 N3 O3 |
| Smiles: | C1C2C=CC1C1C2C(N(C1=O)c1ccc(cc1)Oc1ccc(C#N)c(C#N)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5593 |
| logD: | 2.5593 |
| logSw: | -3.064 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.585 |
| InChI Key: | FRCDGJNESATUON-UHFFFAOYSA-N |