1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(4-methoxyphenyl)propan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | S986-0334 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C26 H33 N3 O3 |
| Smiles: | CN(C)C[C@@]12CN(C[C@H]2CN(C1)C(c1ccccc1)=O)C(CCc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3007 |
| logD: | -0.8155 |
| logSw: | -2.3522 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.633 |
| InChI Key: | MOONMVBFJGZKLZ-NVQXNPDNSA-N |