1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)ethan-1-one
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S986-0471 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(methoxyacetyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C21 H31 N3 O4 |
| Smiles: | Cc1cccc(c1)OCC(N1C[C@H]2CN(C[C@@]2(CN(C)C)C1)C(COC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3045 |
| logD: | -2.8698 |
| logSw: | -1.5852 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.756 |
| InChI Key: | KWDQUXWVSUICDH-UWJYYQICSA-N |