propan-2-yl rel-(6R,7aS)-2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
propan-2-yl rel-(6R,7aS)-2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
propan-2-yl rel-(6R,7aS)-2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5689-0198 |
| Compound Name: | propan-2-yl rel-(6R,7aS)-2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C18 H25 N O4 |
| Smiles: | CC(C)OC(C1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)C1CCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8613 |
| logD: | 2.8613 |
| logSw: | -3.0802 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.367 |
| InChI Key: | NBRKDTGLWWFFIZ-NLEXEUNCSA-N |