2,6-Dibutyl-5-{[2'-(2H-Tetrazol-5-Yl)-4-Biphenylyl]Methyl}-4(1H)-Pyrimidinone

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Formula C26H31N6O+
IUPAC Name 2,6-dibutyl-5-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-1h-pyrimidin-4-one
Molecular Mass 443.564 g·mol−1
Heat of Formation 235.5 ± 16.7 kJ·mol−1
Dipole Moment 7.62 ± 1.08 D
Volume 553.25 Å 3
Surface Area 442.34 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dibutyl-5-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)pyrimidin-4-ol
  • 2,6-dibutyl-5-[4-[2-(2h-tetrazol-5-yl)phenyl]benzyl]-1h-pyrimidin-4-one
  • 2,6-dibutyl-5-[[4-[2-(2h-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1h-pyrimidin-4-one
  • cgp 48369
  • cgp-48369
CAS Number(s)
  • 135689-23-5
InChIKey UKEZYWUWLICNPR-UHFFFAOYSA-N
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