3-[5,6-bis(4-methylphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Chemical Structure Depiction of
3-[5,6-bis(4-methylphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
3-[5,6-bis(4-methylphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 8009-7494 |
| Compound Name: | 3-[5,6-bis(4-methylphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid |
| Molecular Weight: | 629.71 |
| Molecular Formula: | C42 H31 N O5 |
| Smiles: | Cc1ccc(cc1)C1=C(c2ccc(C)cc2)C2(C3C(C(N(C3=O)c3cccc(c3)C(O)=O)=O)C1(C2=O)c1ccccc1)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.7438 |
| logD: | 5.0542 |
| logSw: | -5.6941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.193 |
| InChI Key: | QONLKZZMXMEULA-UHFFFAOYSA-N |