5-Chloro-N-[1-(2-{[2-Fluoro-4-(2-Oxo-1(2H)-Pyridinyl)Phenyl]Amino}-2-Oxoethyl)-1H-1,2,4-Triazol-3-Yl]-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C20H14ClFN6O3S
IUPAC Name 5-chloro-n-[1-[2-[2-fluoro-4-(2-oxo-1-pyridyl)anilino]-2-oxo-ethyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
Molecular Mass 472.880 g·mol−1
Heat of Formation -88.3 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 495.38 Å 3
Surface Area 451.11 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-n-[1-[2-[[2-fluoro-4-(2-keto-1-pyridyl)phenyl]amino]-2-keto-ethyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
  • 5-chloro-n-[1-[2-[[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]amino]-2-oxo-ethyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
  • 5-chloro-n-[1-[2-[[2-fluoro-4-(2-oxo-1-pyridyl)phenyl]amino]-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophenecarboxamide
  • 5-chloro-n-[1-[2-[[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]amino]-2-oxo-ethyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
InChIKey KAUVVMPQUJSRIS-UHFFFAOYSA-N
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