1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[4-(trifluoromethoxy)phenyl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[4-(trifluoromethoxy)phenyl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[4-(trifluoromethoxy)phenyl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | SB47-0148 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-{[4-(trifluoromethoxy)phenyl]methyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 423.44 |
| Molecular Formula: | C20 H24 F3 N5 O2 |
| Smiles: | CCC(N1C[C@H]2CN(Cc3ccc(cc3)OC(F)(F)F)C[C@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9514 |
| logD: | -1.6442 |
| logSw: | -3.1993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.892 |
| InChI Key: | WBYBWKCZZQPUDJ-BEFAXECRSA-N |