butyl rel-(6R,7aS)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
butyl rel-(6R,7aS)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
butyl rel-(6R,7aS)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5689-0149 |
| Compound Name: | butyl rel-(6R,7aS)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C20 H23 N O4 |
| Smiles: | CCCCOC(C1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)c1ccc(C)cc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6947 |
| logD: | 3.6947 |
| logSw: | -3.7556 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.149 |
| InChI Key: | FENIVDUEHXYXKN-DKYYBJCZSA-N |