methyl rel-(6R,7aS)-2-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
methyl rel-(6R,7aS)-2-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
methyl rel-(6R,7aS)-2-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5969-0046 |
| Compound Name: | methyl rel-(6R,7aS)-2-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | COC(C1[C@@H]2C(N(Cc3ccccc3)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5675 |
| logD: | 1.5675 |
| logSw: | -1.7356 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.721 |
| InChI Key: | KDUNRPYUBJOQOJ-LMAUJVCWSA-N |