rel-(3aR,6S,7R,7aS)-N~7~-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-N~3~-(2,3-dimethylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~7~-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-N~3~-(2,3-dimethylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-N~3~-(2,3-dimethylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-2899 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-N~3~-(2,3-dimethylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 557.13 |
| Molecular Formula: | C30 H41 Cl N4 O4 |
| Smiles: | CCN(CC)CCN1C(C(NC2CCCC(C)C2C)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)[Cl])=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9805 |
| logD: | 2.5266 |
| logSw: | -4.179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.848 |
| InChI Key: | SAIRYYOOICYACH-FUNZHFJRSA-N |