1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S986-0330 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | CN(C)C[C@@]12CN(C[C@H]2CN(C1)C(c1ccccc1)=O)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5608 |
| logD: | -1.5554 |
| logSw: | -2.1511 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.107 |
| InChI Key: | HXFRCOMCTQEGMZ-AVRDEDQJSA-N |