Danirixin

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Properties Simple | Detailed

Formula C19H21ClFN3O4S
IUPAC Name 1-[4-chloro-2-hydroxy-3-[[(3s)-3-piperidyl]sulfonyl]phenyl]-3-(3-fluoro-2-methyl-phenyl)urea
Molecular Mass 441.904 g·mol−1
Heat of Formation -793.2 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 467.54 Å 3
Surface Area 402.63 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-chloro-2-hydroxy-3-[(3s)-piperidin-3-yl]sulfonyl-phenyl]-3-(3-fluoro-2-methyl-phenyl)urea
  • 1-[4-chloro-2-hydroxy-3-[(3s)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea
  • 1-[4-chloro-2-hydroxy-3-[[(3s)-3-piperidinyl]sulfonyl]phenyl]-3-(3-fluoro-2-methylphenyl)urea
  • 1-[4-chloro-2-hydroxy-3-[[(3s)-3-piperidyl]sulfonyl]phenyl]-3-(3-fluoro-2-methyl-phenyl)urea
InChIKey NGYNBSHYFOFVLS-LBPRGKRZSA-N
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