3-(((Ar)-M-((E)-2-(7-Chloro-2-Quinolyl)Vinyl)-A-((2-(Dimethylcarbamoyl)Ethyl)Thio)Benzyl)Thio)Propionic Acid

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Properties Simple | Detailed

Formula C26H27ClN2O3S2
IUPAC Name 3-[(r)-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[3-(dimethylamino)-3-oxo-propyl]sulfanyl-methyl]sulfanylpropanoic acid
Molecular Mass 515.087 g·mol−1
Heat of Formation -321.1 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 611.46 Å 3
Surface Area 468.16 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(r)-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-(3-dimethylamino-3-oxo-propyl)sulfanyl-methyl]sulfanylpropanoic acid
  • 3-[(r)-[3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-dimethylamino-3-oxo-propyl)sulfanyl-methyl]sulfanylpropanoic acid
  • 3-[(r)-[3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-(3-dimethylamino-3-oxopropyl)sulfanylmethyl]sulfanylpropanoic acid
  • 3-[[(r)-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[(3-dimethylamino-3-keto-propyl)thio]methyl]thio]propionic acid
  • 3-[[(r)-[3-[(e)-2-(7-chloro-2-quinolyl)vinyl]phenyl]-[(3-dimethylamino-3-oxopropyl)thio]methyl]thio]propanoic acid
  • d02384
  • verlukast (usan)
InChIKey AXUZQJFHDNNPFG-LHAVAQOQSA-N
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