3-{2-Fluoro-4-[({4'-[(4-Hydroxy-1,1-Dioxidotetrahydro-2H-Thiopyran-4-Yl)Methoxy]-2',6'-Dimethyl-3-Biphenylyl}Methyl)Amino]Phenyl}Propanoic Acid

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Formula C30H34FNO6S
IUPAC Name 3-[2-fluoro-4-[[3-[4-[(4-hydroxy-1,1-dioxo-thian-4-yl)methoxy]-2,6-dimethyl-phenyl]phenyl]methylamino]phenyl]propanoic acid
Molecular Mass 555.657 g·mol−1
Heat of Formation -1160.6 ± 16.7 kJ·mol−1
Dipole Moment 8.66 ± 1.08 D
Volume 655.95 Å 3
Surface Area 556.2 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-fluoro-4-[[3-[4-[(4-hydroxy-1,1-diketo-thian-4-yl)methoxy]-2,6-dimethyl-phenyl]benzyl]amino]phenyl]propionic acid
  • 3-[2-fluoro-4-[[3-[4-[(4-hydroxy-1,1-dioxo-4-thianyl)methoxy]-2,6-dimethylphenyl]phenyl]methylamino]phenyl]propanoic acid
  • 3-[2-fluoro-4-[[3-[4-[(4-hydroxy-1,1-dioxothian-4-yl)methoxy]-2,6-dimethylphenyl]phenyl]methylamino]phenyl]propanoic acid
InChIKey AFHOJMBCVQFAGV-UHFFFAOYSA-N
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