1-(5-Bromo-2-Pyridinyl)-3-[(1S,2S)-2-(6-Fluoro-2-Hydroxy-3-Propionylphenyl)Cyclopropyl]Urea

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Properties Simple | Detailed

Formula C18H17BrFN3O3
IUPAC Name 1-(5-bromo-2-pyridyl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
Molecular Mass 422.248 g·mol−1
Heat of Formation -434.2 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 429.61 Å 3
Surface Area 331.54 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-bromo-pyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)-cyclopropyl]-urea
  • 3-(5-bromo-2-pyridyl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
  • 3-(5-bromo-2-pyridyl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)cyclopropyl]urea
  • 3-(5-bromo-2-pyridyl)-1-[(1s,2s)-2-[6-fluoro-2-hydroxy-3-(1-oxopropyl)phenyl]cyclopropyl]urea
  • 3-(5-bromopyridin-2-yl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
  • 3-(5-bromopyridin-2-yl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea
  • bfu
  • msc204
  • urea-pett deriv. 18
InChIKey VRAJWAGCJIXJHQ-YPMHNXCESA-N
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Elements C F H O N Br