1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-phenoxyethan-1-one
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S986-0460 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C20 H29 N3 O4 |
| Smiles: | CN(C)C[C@]12CN(C[C@@H]2CN(C1)C(COc1ccccc1)=O)C(COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2153 |
| logD: | -3.3896 |
| logSw: | -1.2772 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.756 |
| InChI Key: | FMVFRUVJELXNLT-UZLBHIALSA-N |