[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-fluoro-4-methylphenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-fluoro-4-methylphenyl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-fluoro-4-methylphenyl)methanone
Compound characteristics
| Compound ID: | S986-0358 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-[(dimethylamino)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-fluoro-4-methylphenyl)methanone |
| Molecular Weight: | 409.5 |
| Molecular Formula: | C24 H28 F N3 O2 |
| Smiles: | Cc1ccc(cc1F)C(N1C[C@H]2CN(C[C@@]2(CN(C)C)C1)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2844 |
| logD: | -0.7738 |
| logSw: | -2.7085 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.617 |
| InChI Key: | UDLCQXZEJGRXLB-RDPSFJRHSA-N |