(5-Fluoro-2-{[(4,5,7-Trifluoro-1,3-Benzothiazol-2-Yl)Methyl]Carbamoyl}Phenoxy)Acetic Acid

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Formula C17H10F4N2O4S
IUPAC Name 2-[5-fluoro-2-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methylcarbamoyl]phenoxy]acetic acid
Molecular Mass 414.331 g·mol−1
Heat of Formation -1140.5 ± 16.7 kJ·mol−1
Dipole Moment 4.92 ± 1.08 D
Volume 413.99 Å 3
Surface Area 367.47 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[5-fluoro-2-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methylcarbamoyl]phenoxy]ethanoic acid
  • 2-[5-fluoro-2-[oxo-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methylamino]methyl]phenoxy]acetic acid
  • idd552
InChIKey ZCAGEXZTORJQDZ-UHFFFAOYSA-N
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