1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenyl)ethan-1-one
1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB47-0626 |
| Compound Name: | 1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C25 H27 N5 O2 |
| Smiles: | Cc1cccc(CC(N2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(c2ccccc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8614 |
| logD: | 2.8611 |
| logSw: | -3.2446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.6 |
| InChI Key: | NNQQDBZZNVKNAW-BWKNWUBXSA-N |