ethyl rel-(6R,7R,7aS)-1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
ethyl rel-(6R,7R,7aS)-1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
ethyl rel-(6R,7R,7aS)-1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5969-0064 |
| Compound Name: | ethyl rel-(6R,7R,7aS)-1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C19 H21 N O4 |
| Smiles: | CCOC([C@@H]1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)C(C)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6441 |
| logD: | 2.6441 |
| logSw: | -2.8888 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.808 |
| InChI Key: | ILQMKZPYGIFLIP-YYBBSLGASA-N |