1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methoxyethoxy)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methoxyethoxy)ethan-1-one
1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methoxyethoxy)ethan-1-one
Compound characteristics
| Compound ID: | S986-0113 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(2-methoxyethoxy)ethan-1-one |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C21 H33 N3 O3 |
| Smiles: | CN(C)C[C@]12CN(Cc3ccccc3)C[C@@H]2CN(C1)C(COCCOC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0994 |
| logD: | -4.6966 |
| logSw: | -1.2864 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.14 |
| InChI Key: | HWIIBDCZVBKQBU-FPOVZHCZSA-N |