rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | K786-9182 |
| Compound Name: | rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 436.94 |
| Molecular Formula: | C25 H25 Cl N2 O3 |
| Smiles: | Cc1ccc(CCNC([C@@H]2[C@@H]3C(N(Cc4ccccc4[Cl])C[C@]34C=C[C@H]2O4)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5116 |
| logD: | 3.5116 |
| logSw: | -3.8048 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.802 |
| InChI Key: | OQWRMKBNPGOXBS-KXEAFHOWSA-N |