methyl rel-(6R,7R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
methyl rel-(6R,7R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
methyl rel-(6R,7R,7aS)-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5969-0078 |
| Compound Name: | methyl rel-(6R,7R,7aS)-2-[(4-methylphenyl)methyl]-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: | Cc1ccc(CN2C[C@]34C=C[C@H]([C@H](C(=O)OC)[C@@H]3C2=O)O4)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9909 |
| logD: | 1.9909 |
| logSw: | -2.2688 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.721 |
| InChI Key: | UUPIQDRVFLAETN-FSZRXZPDSA-N |