[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-pyrrol-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-pyrrol-2-yl)methanone
[rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-pyrrol-2-yl)methanone
Compound characteristics
| Compound ID: | SB47-0656 |
| Compound Name: | [rel-(3aR,6aR)-5-benzoyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-pyrrol-2-yl)methanone |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C22 H24 N6 O2 |
| Smiles: | Cc1nc([C@@]23CN(C[C@H]3CN(C2)C(c2cccn2C)=O)C(c2ccccc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9166 |
| logD: | 1.9163 |
| logSw: | -2.4338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.544 |
| InChI Key: | PKADUESADCKYFC-HTAPYJJXSA-N |