N-{[4'-({3-Butyl-5-Oxo-1-[2-(Trifluoromethyl)Phenyl]-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl}Methyl)-2-Biphenylyl]Sulfonyl}-5-Methyl-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C32H29F3N4O4S2
IUPAC Name n-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methyl-thiophene-2-carboxamide
Molecular Mass 654.722 g·mol−1
Heat of Formation -928.6 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 724.52 Å 3
Surface Area 470.99 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • l-161982
  • n-[2-[4-[[3-butyl-5-keto-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methyl-thiophene-2-carboxamide
  • n-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methyl-2-thiophenecarboxamide
  • n-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methyl-thiophene-2-carboxamide
  • n-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-5-methylthiophene-2-carboxamide
InChIKey JYZLVNVGBRFRME-UHFFFAOYSA-N
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