4-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzoic acid
Chemical Structure Depiction of
4-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzoic acid
4-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 4493-0926 |
| Compound Name: | 4-[rel-(3aR,7aS)-5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl]benzoic acid |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C16 H15 N O4 |
| Smiles: | CC1C[C@@H]2C(N(C([C@@H]2CC=1)=O)c1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3942 |
| logD: | -0.001 |
| logSw: | -2.9059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.48 |
| InChI Key: | CMEDBZOQPCCFKM-STQMWFEESA-N |