[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-2-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-2-yl)methanone
Compound characteristics
| Compound ID: | S986-0360 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-2-yl)methanone |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C22 H26 N4 O2 |
| Smiles: | CN(C)C[C@]12CN(C[C@@H]2CN(C1)C(c1ccccn1)=O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9276 |
| logD: | -2.1306 |
| logSw: | -1.367 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.664 |
| InChI Key: | ZOSDGYQEVRYUKU-AVRDEDQJSA-N |