[rel-(3aR,6aR)-5-(2,5-dimethylfuran-3-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-(2,5-dimethylfuran-3-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
[rel-(3aR,6aR)-5-(2,5-dimethylfuran-3-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB47-0672 |
| Compound Name: | [rel-(3aR,6aR)-5-(2,5-dimethylfuran-3-carbonyl)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](pyridin-3-yl)methanone |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C22 H24 N6 O3 |
| Smiles: | Cc1nc([C@@]23CN(C[C@H]3CN(C2)C(c2cc(C)oc2C)=O)C(c2cccnc2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6738 |
| logD: | 0.6734 |
| logSw: | -1.747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.392 |
| InChI Key: | GSPSYUIMQXGQAQ-HTAPYJJXSA-N |