methyl 2-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoate
methyl 2-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoate
Compound characteristics
| Compound ID: | 3970-0971 |
| Compound Name: | methyl 2-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}benzoate |
| Molecular Weight: | 429.38 |
| Molecular Formula: | C21 H19 N O9 |
| Smiles: | CC(=O)OC(C12C=CC(C3C1C(N(C3=O)c1ccccc1C(=O)OC)=O)O2)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7731 |
| logD: | 0.7731 |
| logSw: | -1.8815 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 99.742 |
| InChI Key: | GTGQRWQUWXPFBW-UHFFFAOYSA-N |