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

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Formula C19H17FN4O3
IUPAC Name 1-(5-cyano-2-pyridyl)-3-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
Molecular Mass 368.362 g·mol−1
Heat of Formation -345.1 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 424.95 Å 3
Surface Area 325.95 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(5-cyano-2-pyridyl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
  • 3-(5-cyano-2-pyridyl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propionyl-phenyl)cyclopropyl]urea
  • 3-(5-cyano-2-pyridyl)-1-[(1s,2s)-2-[6-fluoro-2-hydroxy-3-(1-oxopropyl)phenyl]cyclopropyl]urea
  • 3-(5-cyanopyridin-2-yl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoyl-phenyl)cyclopropyl]urea
  • 3-(5-cyanopyridin-2-yl)-1-[(1s,2s)-2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea
InChIKey NKPHEWJJTGPRSL-OCCSQVGLSA-N
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