rel-(3aR,6S,7R,7aS)-2-[2-(2-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3,4-dimethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-2-[2-(2-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3,4-dimethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-2-[2-(2-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3,4-dimethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4717 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-[2-(2-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3,4-dimethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 562.11 |
| Molecular Formula: | C32 H36 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1C)NC([C@@H]1[C@@H]2C(N(CCc3ccccc3[Cl])C(C(NC3CCCCC3)=O)[C@@]23C=C[C@@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8852 |
| logD: | 5.8838 |
| logSw: | -5.9422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.775 |
| InChI Key: | BWBDEIOTEJIEIN-PMDNFXJQSA-N |