methyl rel-(6R,7R,7aS)-2-(2-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
methyl rel-(6R,7R,7aS)-2-(2-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
methyl rel-(6R,7R,7aS)-2-(2-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5689-0186 |
| Compound Name: | methyl rel-(6R,7R,7aS)-2-(2-chlorophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 319.74 |
| Molecular Formula: | C16 H14 Cl N O4 |
| Smiles: | COC([C@@H]1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1869 |
| logD: | 2.1869 |
| logSw: | -2.774 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.974 |
| InChI Key: | GWGHUUDNESIALH-DVZHBHJUSA-N |