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

Molecule SVG Image

Properties Simple | Detailed

Formula C28H31FN3O6S
IUPAC Name cyclopropylmethyl 5-ethyl-3-[[2-fluoro-4-(2-isocyanatosulfonylbenzene-3,4,5,6-tetraid-1-yl)phenyl]methyl]-2-propyl-imidazol-1-ium-4-ide-4-carboxylate; methanone
Molecular Mass 556.626 g·mol−1
Heat of Formation 749.2 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 654.06 Å 3
Surface Area 505.64 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -2.18 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S