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

Molecule SVG Image

Properties Simple | Detailed

Formula C33H29F3N4O4S
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 634.668 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S