[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1H-pyrazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1H-pyrazol-3-yl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | S986-0137 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 353.47 |
| Molecular Formula: | C20 H27 N5 O |
| Smiles: | CN(C)C[C@]12CN(Cc3ccccc3)C[C@@H]2CN(C1)C(c1cc[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.115 |
| logD: | -3.5649 |
| logSw: | -1.8246 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.302 |
| InChI Key: | YCSCALDSKJMEOD-PXNSSMCTSA-N |