propyl rel-(6R,7R,7aS)-2-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
propyl rel-(6R,7R,7aS)-2-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
propyl rel-(6R,7R,7aS)-2-benzyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5969-0049 |
| Compound Name: | propyl rel-(6R,7R,7aS)-2-benzyl-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: | CCCOC([C@@H]1[C@@H]2C(N(Cc3ccccc3)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5851 |
| logD: | 2.5851 |
| logSw: | -2.6784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.595 |
| InChI Key: | PHKUSXBBVSULHF-OLMMMNRUSA-N |