2-methylpropyl rel-(6R,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
2-methylpropyl rel-(6R,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
2-methylpropyl rel-(6R,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0061 |
| Compound Name: | 2-methylpropyl rel-(6R,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C21 H25 N O4 |
| Smiles: | CC(C)COC([C@@H]1[C@@H]2C(N(CCc3ccccc3)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2903 |
| logD: | 3.2903 |
| logSw: | -3.635 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.655 |
| InChI Key: | ROEFHITVKXHEOH-IIMDRIAPSA-N |