2-chloro-5-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
2-chloro-5-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 8008-9632 |
| Compound Name: | 2-chloro-5-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid |
| Molecular Weight: | 481.94 |
| Molecular Formula: | C29 H20 Cl N O4 |
| Smiles: | C1=CC2C3C(C1C2=C(c1ccccc1)c1ccccc1)C(N(C3=O)c1ccc(c(c1)C(O)=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7258 |
| logD: | 1.1193 |
| logSw: | -4.6662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.59 |
| InChI Key: | CHERTHIULYKQID-UHFFFAOYSA-N |