benzyl rel-(6R,7R,7aS)-2-(4-chlorophenyl)-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-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
benzyl rel-(6R,7R,7aS)-2-(4-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5689-0192 |
| Compound Name: | benzyl rel-(6R,7R,7aS)-2-(4-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 395.84 |
| Molecular Formula: | C22 H18 Cl N O4 |
| Smiles: | C1[C@]23C=C[C@H]([C@H](C(=O)OCc4ccccc4)[C@@H]2C(N1c1ccc(cc1)[Cl])=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0344 |
| logD: | 4.0343 |
| logSw: | -4.641 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.959 |
| InChI Key: | ITOQZFZYKJYLSZ-GHDARCQNSA-N |