[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-pyrrol-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-pyrrol-2-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-pyrrol-2-yl)methanone
Compound characteristics
| Compound ID: | S986-0373 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-pyrrol-2-yl)methanone |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C22 H28 N4 O2 |
| Smiles: | CN(C)C[C@]12CN(C[C@@H]2CN(C1)C(c1cccn1C)=O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.757 |
| logD: | -1.3012 |
| logSw: | -1.9855 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.033 |
| InChI Key: | AKSXWMUTXQGVEZ-PGRDOPGGSA-N |