1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S986-0371 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | Cc1ccccc1CC(N1C[C@H]2CN(C[C@@]2(CN(C)C)C1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7665 |
| logD: | -0.3498 |
| logSw: | -2.7496 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.089 |
| InChI Key: | KWAFUTSYNBOKTL-DHLKQENFSA-N |