benzyl rel-(6R,7R,7aS)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
benzyl rel-(6R,7R,7aS)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
benzyl rel-(6R,7R,7aS)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5689-0173 |
| Compound Name: | benzyl rel-(6R,7R,7aS)-2-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C23 H21 N O5 |
| Smiles: | COc1ccc(cc1)N1C[C@]23C=C[C@H]([C@H](C(=O)OCc4ccccc4)[C@@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.422 |
| logD: | 3.422 |
| logSw: | -3.725 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.503 |
| InChI Key: | FGCRNGIMEMHLIU-AWWSKVOZSA-N |