[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-fluoro-4-methylphenyl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-fluoro-4-methylphenyl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-fluoro-4-methylphenyl)methanone
Compound characteristics
| Compound ID: | SB47-0558 |
| Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-fluoro-4-methylphenyl)methanone |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C24 H26 F N5 O |
| Smiles: | Cc1ccc(cc1F)C(N1C[C@@H]2CN(Cc3ccccc3)C[C@@]2(C1)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1023 |
| logD: | -1.6382 |
| logSw: | -3.1731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.211 |
| InChI Key: | MBIXRQCBDLKGQQ-YKSBVNFPSA-N |