(2E)-3-[4-({2-[(2-Furylsulfonyl)(Isobutyl)Amino]-5-(Trifluoromethyl)Phenoxy}Methyl)Phenyl]Acrylic Acid

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Formula C25H24F3NO6S
IUPAC Name (e)-3-[4-[[2-[2-furylsulfonyl(isobutyl)amino]-5-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoic acid
Molecular Mass 523.521 g·mol−1
Heat of Formation -1344.7 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 577.84 Å 3
Surface Area 462.37 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-[[2-(2-furylsulfonyl-isobutyl-amino)-5-(trifluoromethyl)phenoxy]methyl]phenyl]acrylic acid
  • (e)-3-[4-[[2-(2-furylsulfonyl-isobutyl-amino)-5-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoic acid
  • (e)-3-[4-[[2-(2-furylsulfonyl-isobutylamino)-5-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoic acid
  • (e)-3-[4-[[2-(furan-2-ylsulfonyl-(2-methylpropyl)amino)-5-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enoic acid
InChIKey LOQMSUDLLHPPHQ-FMIVXFBMSA-N
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