1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(3-fluoro-4-methoxybenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(3-fluoro-4-methoxybenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(3-fluoro-4-methoxybenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S986-0431 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(3-fluoro-4-methoxybenzoyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C20 H28 F N3 O4 |
| Smiles: | CN(C)C[C@]12CN(C[C@@H]2CN(C1)C(c1ccc(c(c1)F)OC)=O)C(COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0272 |
| logD: | -3.0891 |
| logSw: | -1.6451 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.415 |
| InChI Key: | QAPYONMVXYPCLH-YWZLYKJASA-N |