rel-(3aR,6S,7R,7aS)-2-{2-[benzyl(methyl)amino]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-[benzyl(methyl)amino]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-[benzyl(methyl)amino]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: | C073-4739 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-{2-[benzyl(methyl)amino]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: | 570.73 |
| Molecular Formula: | C34 H42 N4 O4 |
| Smiles: | Cc1ccc(cc1C)NC([C@@H]1[C@@H]2C(N(CCN(C)Cc3ccccc3)C(C(NC3CCCCC3)=O)[C@@]23C=C[C@@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8339 |
| logD: | 4.4554 |
| logSw: | -4.5948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.869 |
| InChI Key: | XVXHIOFWALNGPC-QMDGTFCHSA-N |