[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-4-yl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-4-yl)methanone
Compound characteristics
| Compound ID: | S986-0153 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyrimidin-4-yl)methanone |
| Molecular Weight: | 365.48 |
| Molecular Formula: | C21 H27 N5 O |
| Smiles: | CN(C)C[C@]12CN(Cc3ccccc3)C[C@@H]2CN(C1)C(c1ccncn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8434 |
| logD: | -3.8365 |
| logSw: | -1.0738 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.891 |
| InChI Key: | DIJMXXUNLRZMJV-RXVVDRJESA-N |