ethyl rel-(6R,7R,7aS)-2-(4-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
ethyl rel-(6R,7R,7aS)-2-(4-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
ethyl rel-(6R,7R,7aS)-2-(4-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0066 |
| Compound Name: | ethyl rel-(6R,7R,7aS)-2-(4-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C19 H21 N O4 |
| Smiles: | CCc1ccc(cc1)N1C[C@]23C=C[C@H]([C@H](C(=O)OCC)[C@@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.152 |
| logD: | 3.152 |
| logSw: | -3.2146 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.855 |
| InChI Key: | MKUCCCRVUNKAPY-OLMMMNRUSA-N |