N-(4-{[3-Butyl-1-(2-Fluorobenzyl)-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl]Methyl}Phenyl)Acetamide

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Formula C25H26FN5O3
IUPAC Name n-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7h-purin-8-yl]methyl]phenyl]acetamide
Molecular Mass 463.504 g·mol−1
Heat of Formation -490.2 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 546.23 Å 3
Surface Area 466.47 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-fluorobenzyl)-3-butyl-8-(n-acetyl-4-aminobenzyl)-xanthine
  • ftb
  • n-[4-[[3-butyl-1-(2-fluorobenzyl)-2,6-diketo-7h-purin-8-yl]methyl]phenyl]acetamide
  • n-[4-[[3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7h-purin-8-yl]methyl]phenyl]ethanamide
  • n-{4-[1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-ylmethyl]-phenyl}-acetamide
InChIKey JHSHXKJSPVHPCJ-UHFFFAOYSA-N
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