[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methyl-1,2-oxazol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methyl-1,2-oxazol-3-yl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methyl-1,2-oxazol-3-yl)methanone
Compound characteristics
| Compound ID: | S986-0116 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](5-methyl-1,2-oxazol-3-yl)methanone |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | Cc1cc(C(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(CN(C)C)C2)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9253 |
| logD: | -2.7545 |
| logSw: | -2.3388 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.929 |
| InChI Key: | YFLNADOUXHDBHD-RXVVDRJESA-N |