1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-methylbutan-1-one
1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | S986-0120 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-methylbutan-1-one |
| Molecular Weight: | 343.51 |
| Molecular Formula: | C21 H33 N3 O |
| Smiles: | CC(C)CC(N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(CN(C)C)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3496 |
| logD: | -2.4464 |
| logSw: | -2.5954 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.4449 |
| InChI Key: | OKIGPSAMAIORRU-FPOVZHCZSA-N |