pentyl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
pentyl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
pentyl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5689-0152 |
| Compound Name: | pentyl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C21 H25 N O4 |
| Smiles: | CCCCCOC([C@@H]1[C@@H]2C=C[C@@]3(CN(C([C@H]13)=O)c1ccccc1C)O2)=O |
| Stereo: | RELATIVE |
| logP: | 4.2037 |
| logD: | 4.2037 |
| logSw: | -4.238 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.848 |
| InChI Key: | SBDWZBRKGCELCC-IIMDRIAPSA-N |