propyl rel-(6R,7R,7aS)-2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
propyl rel-(6R,7R,7aS)-2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
propyl rel-(6R,7R,7aS)-2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0027 |
| Compound Name: | propyl rel-(6R,7R,7aS)-2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C20 H23 N O4 |
| Smiles: | CCCOC([C@@H]1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)c1ccccc1CC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6993 |
| logD: | 3.6992 |
| logSw: | -3.915 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.848 |
| InChI Key: | XMHRYTPYLIGRKD-YZLZLFLDSA-N |