rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | K786-9189 |
| Compound Name: | rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-{2-[ethyl(phenyl)amino]ethyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 465.98 |
| Molecular Formula: | C26 H28 Cl N3 O3 |
| Smiles: | CCN(CCNC(C1[C@@H]2C(N(Cc3ccccc3[Cl])C[C@]23C=C[C@H]1O3)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5514 |
| logD: | 3.5471 |
| logSw: | -3.7718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.792 |
| InChI Key: | JQUXGFFQAUNCBT-JAAMLZHWSA-N |