[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-5-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-5-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-5-yl)methanone
Compound characteristics
| Compound ID: | S986-0366 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-5-yl)methanone |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | CN(C)C[C@]12CN(C[C@@H]2CN(C1)C(c1cncnc1)=O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4258 |
| logD: | -3.484 |
| logSw: | -0.9757 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.366 |
| InChI Key: | IULXFDXLESPARJ-RXVVDRJESA-N |