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

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Properties Simple | Detailed

Formula C33H28F3N4O4S
IUPAC Name n-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylbenzamide
Molecular Mass 633.660 g·mol−1
Heat of Formation 2216.3 ± 16.7 kJ·mol−1
Dipole Moment 14.92 ± 1.08 D
Volume 693.57 Å 3
Surface Area 470.53 Å 2
HOMO Energy -6.65 ± 0.55 eV
LUMO Energy -4.21 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-[4-[[3-butyl-5-keto-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylbenzamide
InChIKey JVOGASLNIGJLLS-UHFFFAOYSA-N
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