1-[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-4-phenylbutan-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]-4-phenylbutan-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]-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | SB47-0611 |
| 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]-4-phenylbutan-1-one |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C26 H29 N5 O2 |
| Smiles: | Cc1nc([C@]23CN(C[C@@H]3CN(C2)C(c2ccccc2)=O)C(CCCc2ccccc2)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 3.059 |
| logD: | 3.0587 |
| logSw: | -3.2062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.6 |
| InChI Key: | MDYQOKSLKAYYKL-GJZUVCINSA-N |