dimethyl 5-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzene-1,3-dicarboxylate
dimethyl 5-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K603-0150 |
| Compound Name: | dimethyl 5-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzene-1,3-dicarboxylate |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C19 H17 N O6 |
| Smiles: | COC(c1cc(cc(c1)N1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7835 |
| logD: | 1.7835 |
| logSw: | -1.8613 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.072 |
| InChI Key: | GBJQFOSTBJONDG-UHFFFAOYSA-N |