4-[rel-(4R,7S)-3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(4R,7S)-3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
4-[rel-(4R,7S)-3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 5483-0136 |
| Compound Name: | 4-[rel-(4R,7S)-3a-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C17 H15 N O4 |
| Smiles: | CC12C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)[C@@H]1C[C@H]2C=C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.943 |
| logD: | -0.4522 |
| logSw: | -2.7312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.133 |
| InChI Key: | QOWWSEMCPLUMAE-UOFTYCBXSA-N |