[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-3-yl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S986-0130 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](6-methylpyridin-3-yl)methanone |
| Molecular Weight: | 378.52 |
| Molecular Formula: | C23 H30 N4 O |
| Smiles: | Cc1ccc(cn1)C(N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(CN(C)C)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7011 |
| logD: | -2.9787 |
| logSw: | -1.721 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.645 |
| InChI Key: | CGKDTQCGJISZPJ-GMAHTHKFSA-N |