propyl rel-(6R,7aS)-2-[1-(4-bromophenyl)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-bromophenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
propyl rel-(6R,7aS)-2-[1-(4-bromophenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0222 |
| Compound Name: | propyl rel-(6R,7aS)-2-[1-(4-bromophenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 420.3 |
| Molecular Formula: | C20 H22 Br N O4 |
| Smiles: | CCCOC(C1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)C(C)c1ccc(cc1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0508 |
| logD: | 4.0508 |
| logSw: | -4.1158 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.102 |
| InChI Key: | FMFOZGYRCXMSOM-URWOPRFSSA-N |