ethyl [rel-(6R,7aS)-7-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Chemical Structure Depiction of
ethyl [rel-(6R,7aS)-7-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
ethyl [rel-(6R,7aS)-7-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | C428-0064 |
| Compound Name: | ethyl [rel-(6R,7aS)-7-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C20 H20 N2 O7 |
| Smiles: | CCOC(CN1C[C@]23C=C[C@H](C(C(Nc4ccc5c(c4)OCO5)=O)[C@@H]2C1=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2268 |
| logD: | 1.2219 |
| logSw: | -2.2896 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.184 |
| InChI Key: | ZHNHHNKECZYWOL-BFPWDOEWSA-N |