[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](thiophen-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](thiophen-2-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](thiophen-2-yl)methanone
Compound characteristics
| Compound ID: | S986-0325 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](thiophen-2-yl)methanone |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CN(C)C[C@]12CN(C[C@@H]2CN(C1)C(c1cccs1)=O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8353 |
| logD: | -1.2229 |
| logSw: | -2.242 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.635 |
| InChI Key: | FIAZRLORWIMTLV-DYESRHJHSA-N |