Zenarestat

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Properties Simple | Detailed

Formula C17H11BrClFN2O4++
IUPAC Name 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-7-chloro-2,4-dioxo-quinazolin-1-yl]acetic acid
Molecular Mass 441.636 g·mol−1
Heat of Formation -719.3 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 418.35 Å 3
Surface Area 351.26 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1(2h)-quinazolineacetic acid, 3,4-dihydro-3-((4-bromo-2-fluorophenyl)methyl)-7-chloro-2,4-dioxo-
  • 2-(7-chloro-3-(4-bromo-2-fluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxoquinazolin)-1-acetic acid
  • 2-[3-(4-bromo-2-fluoro-benzyl)-7-chloro-2,4-diketo-quinazolin-1-yl]acetic acid
  • 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-7-chloro-2,4-dioxo-quinazolin-1-yl]ethanoic acid
  • 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-1-quinazolinyl]acetic acid
  • 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid
  • 3-(4-bromo-2-fluorobenzyl)-7-chloro-3,4-dihydro-2,4-dioxo-1(2h)-quinazolineacetic acid
  • [3-(4-bromo-2-fluoro-benzyl)-7-chloro-2,4-dioxo-3,4-dihydro-2h-quinazolin-1-yl]-acetic acid
  • ci 1014
  • d03807
  • fk 366
  • fk-366
  • fr 74366
  • fr-74366
  • zenarestat (usan)
  • zes
CAS Number(s)
  • 112733-06-9
InChIKey SXONDGSPUVNZLO-UHFFFAOYSA-N
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Elements C F H Cl O N Br