Bederocin

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Properties Simple | Detailed

Formula C20H21BrFN3OS
IUPAC Name 2-[3-[[4-bromo-5-(1-fluorovinyl)-3-methyl-2-thienyl]methylamino]propylamino]-1h-quinolin-4-one
Molecular Mass 450.368 g·mol−1
Heat of Formation -73.6 ± 16.7 kJ·mol−1
Dipole Moment 7.44 ± 1.08 D
Volume 473.61 Å 3
Surface Area 375.62 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-[[4-bromo-5-(1-fluoroethenyl)-3-methyl-thiophen-2-yl]methylamino]propylamino]-1h-quinolin-4-one
  • 2-[3-[[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methylamino]propylamino]-1h-quinolin-4-one
  • 2-[3-[[4-bromo-5-(1-fluorovinyl)-3-methyl-2-thienyl]methylamino]propylamino]-1h-quinolin-4-one
  • 2-[3-[[4-bromo-5-(1-fluorovinyl)-3-methyl-2-thienyl]methylamino]propylamino]-4-quinolone
InChIKey BGJMKHPWCFXMOW-UHFFFAOYSA-N
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Elements C F H O N S Br