5-[5,6-bis(4-methoxyphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-2-chlorobenzoic acid
Chemical Structure Depiction of
5-[5,6-bis(4-methoxyphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-2-chlorobenzoic acid
5-[5,6-bis(4-methoxyphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 1935-0198 |
| Compound Name: | 5-[5,6-bis(4-methoxyphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-2-chlorobenzoic acid |
| Molecular Weight: | 696.16 |
| Molecular Formula: | C42 H30 Cl N O7 |
| Smiles: | COc1ccc(cc1)C1=C(c2ccc(cc2)OC)C2(C3C(C(N(C3=O)c3ccc(c(c3)C(O)=O)[Cl])=O)C1(C2=O)c1ccccc1)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1029 |
| logD: | 3.4964 |
| logSw: | -5.9528 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.281 |
| InChI Key: | BOQDIKNILWFWLP-UHFFFAOYSA-N |