ethyl rel-(6R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
ethyl rel-(6R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
ethyl rel-(6R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5969-0079 |
| Compound Name: | ethyl rel-(6R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C19 H21 N O4 |
| Smiles: | CCOC(C1[C@@H]2C(N(Cc3ccc(C)cc3)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4314 |
| logD: | 2.4314 |
| logSw: | -2.545 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.301 |
| InChI Key: | ZRPJZVCYFPIXTC-ZKADTVLWSA-N |