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-(4-methoxyphenyl)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-(4-methoxyphenyl)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-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SB47-0596 |
| 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-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2ccccc2)=O)C(Cc2ccc(cc2)OC)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1516 |
| logD: | 2.1513 |
| logSw: | -2.5302 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.143 |
| InChI Key: | WMTSYOYZSLTVEX-NLFFAJNJSA-N |