propyl rel-(6R,7aS)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
propyl rel-(6R,7aS)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
propyl rel-(6R,7aS)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0229 |
| Compound Name: | propyl rel-(6R,7aS)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 371.43 |
| Molecular Formula: | C21 H25 N O5 |
| Smiles: | CCCOC(C1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)C(C)c1ccc(cc1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1992 |
| logD: | 3.1992 |
| logSw: | -3.3769 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.646 |
| InChI Key: | ARIRVMSWRDGEGN-FBVISOFZSA-N |