1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-ethoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-ethoxyethan-1-one
1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-ethoxyethan-1-one
Compound characteristics
| Compound ID: | S986-0129 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-ethoxyethan-1-one |
| Molecular Weight: | 345.48 |
| Molecular Formula: | C20 H31 N3 O2 |
| Smiles: | CCOCC(N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(CN(C)C)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9431 |
| logD: | -3.8529 |
| logSw: | -1.4016 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.504 |
| InChI Key: | VKHXULARHGNBJY-ICSRJNTNSA-N |