4-Ethyl-1-[(3-Fluoro-2'-{[(3-Methylbutoxy)Carbonyl]Sulfamoyl}-4-Biphenylyl)Methyl]-2-Propyl-1H-Imidazole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C28H34FN3O6S
IUPAC Name 5-ethyl-3-[[2-fluoro-4-[2-(isopentyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid
Molecular Mass 559.649 g·mol−1
Heat of Formation -1213.2 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 658.01 Å 3
Surface Area 438.25 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-5-carboxylic acid, 4-ethyl-1-((3-fluoro-2'-((((3-methylbutoxy)carbonyl)amino)sulfonyl)(1,1'-biphenyl)-4-yl)methyl)-2-propyl-, (2-benzoylphenyl)methyl ester
  • 4-((5-(2-benozyl)benzyloxycarbonyl-4-ethyl-2-n-propylimidazole-1-yl)methyl)-3-fluoro-2'-isoamyloxycarbonylaminosulfonyl-1,1'-biphenyl
  • 5-ethyl-3-[2-fluoro-4-[2-(isoamoxycarbonylsulfamoyl)phenyl]benzyl]-2-propyl-imidazole-4-carboxylic acid
  • 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid
  • 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylic acid
  • 5-ethyl-3-[[2-fluoro-4-[2-(isopentyloxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propyl-imidazole-4-carboxylic acid
  • 5-ethyl-3-[[2-fluoro-4-[2-[(isopentyloxy-oxomethyl)sulfamoyl]phenyl]phenyl]methyl]-2-propyl-4-imidazolecarboxylic acid
  • exp 597
  • exp-597
CAS Number(s)
  • 157566-60-4
InChIKey GYEABWYHBNPBGW-UHFFFAOYSA-N
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