ethyl 5-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}-2-chlorobenzoate
Chemical Structure Depiction of
ethyl 5-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}-2-chlorobenzoate
ethyl 5-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}-2-chlorobenzoate
Compound characteristics
| Compound ID: | 4373-3668 |
| Compound Name: | ethyl 5-{4-[bis(acetyloxy)methyl]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl}-2-chlorobenzoate |
| Molecular Weight: | 477.85 |
| Molecular Formula: | C22 H20 Cl N O9 |
| Smiles: | CCOC(c1cc(ccc1[Cl])N1C(C2C(C1=O)C1(C=CC2O1)C(OC(C)=O)OC(C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7914 |
| logD: | 1.7914 |
| logSw: | -3.0141 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 99.622 |
| InChI Key: | QBSWHODZFGWCCU-UHFFFAOYSA-N |