2-Butyl-6-Hydroxy-3-(2'-(1H-Tetrazol-5-Yl)Biphenyl-4-Ylmethyl)-3H-Quinazolin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C26H24N6O2
IUPAC Name 2-butyl-6-hydroxy-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular Mass 452.508 g·mol−1
Heat of Formation 214.1 ± 16.7 kJ·mol−1
Dipole Moment 0.26 ± 1.08 D
Volume 535.83 Å 3
Surface Area 423.36 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butyl-6-hydroxy-3-[2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3h-quinazolin-4-one
  • 2-butyl-6-hydroxy-3-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]quinazolin-4-one
  • 2-butyl-6-hydroxy-3-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
  • 2-butyl-6-hydroxy-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-4-quinazolinone
  • l-159,061
InChIKey UNVNHFHIKCWHHG-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N