4-(4,7-diethyl-1,3,8-trioxo-5,6-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile
Chemical Structure Depiction of
4-(4,7-diethyl-1,3,8-trioxo-5,6-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile
4-(4,7-diethyl-1,3,8-trioxo-5,6-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile
Compound characteristics
| Compound ID: | 8007-8506 |
| Compound Name: | 4-(4,7-diethyl-1,3,8-trioxo-5,6-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzonitrile |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C32 H26 N2 O3 |
| Smiles: | CCC12C3C(C(N(C3=O)c3ccc(C#N)cc3)=O)C(CC)(C(=C1c1ccccc1)c1ccccc1)C2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1538 |
| logD: | 5.1538 |
| logSw: | -5.1144 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.384 |
| InChI Key: | LNJAXPFFMNHUMP-UHFFFAOYSA-N |