1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-fluorophenoxy)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-(4-fluorophenoxy)ethan-1-one
1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-fluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S986-0128 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(4-fluorophenoxy)ethan-1-one |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C24 H30 F N3 O2 |
| Smiles: | CN(C)C[C@]12CN(Cc3ccccc3)C[C@@H]2CN(C1)C(COc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1988 |
| logD: | -2.5972 |
| logSw: | -2.3178 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.673 |
| InChI Key: | PAZPMSORHWHZGN-RDPSFJRHSA-N |