[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-imidazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-imidazol-4-yl)methanone
[rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-imidazol-4-yl)methanone
Compound characteristics
Compound ID: | SB47-0559 |
Compound Name: | [rel-(3aR,6aR)-5-benzyl-3a-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](1-methyl-1H-imidazol-4-yl)methanone |
Molecular Weight: | 391.47 |
Molecular Formula: | C21 H25 N7 O |
Smiles: | Cc1nc([C@@]23CN(Cc4ccccc4)C[C@H]3CN(C2)C(c2cn(C)cn2)=O)[nH]n1 |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 0.9689 |
logD: | -3.7716 |
logSw: | -1.7273 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.848 |
InChI Key: | OVEDCNLMAKKFJZ-UTKZUKDTSA-N |