N-(4-(6-(4-Trifluoromethylphenyl)Pyrimidin-4-Yloxy)Benzothiazol-2-Yl)Acetamide

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Formula C20H13F3N4O2S
IUPAC Name n-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
Molecular Mass 430.403 g·mol−1
Heat of Formation -520.4 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 454.25 Å 3
Surface Area 376.21 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
  • n-[4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide
  • n-[4-[[6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]oxy]-1,3-benzothiazol-2-yl]acetamide
InChIKey YUTIXVXZQIQWGY-UHFFFAOYSA-N
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