4-(1,3,8-trioxo-4,5,6,7-tetraphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Chemical Structure Depiction of
4-(1,3,8-trioxo-4,5,6,7-tetraphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
4-(1,3,8-trioxo-4,5,6,7-tetraphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 2360-0472 |
| Compound Name: | 4-(1,3,8-trioxo-4,5,6,7-tetraphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoic acid |
| Molecular Weight: | 601.66 |
| Molecular Formula: | C40 H27 N O5 |
| Smiles: | c1ccc(cc1)C1=C(c2ccccc2)C2(C3C(C(N(C3=O)c3ccc(cc3)C(O)=O)=O)C1(C2=O)c1ccccc1)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5978 |
| logD: | 4.2026 |
| logSw: | -6.146 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.193 |
| InChI Key: | ZRUDCFNMWQJWKD-UHFFFAOYSA-N |