ethyl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
ethyl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
ethyl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5689-0154 |
| Compound Name: | ethyl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | CCOC([C@@H]1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)c1ccccc1C)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.6035 |
| logD: | 2.6035 |
| logSw: | -2.7971 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.554 |
| InChI Key: | MCUHIBYSSDHIOM-FSZRXZPDSA-N |