3-(Tert-Butylthio)-1-(P-Chlorobenzyl)-A,A-Dimethyl-5-(2-Quinolylmethoxy)Indole-2-Propionic Acid

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Properties Simple | Detailed

Formula C34H36ClN2O3S
IUPAC Name 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-1-ium-4a-id-2-ylmethoxy)indol-1-ium-2-ylium-2-yl]-2,2-dimethyl-propanoic acid
Molecular Mass 588.179 g·mol−1
Heat of Formation -291.8 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 706.82 Å 3
Surface Area 555.93 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-
  • 2cs
  • 3-(tert-butylthio)-1-(p-chlorobenzyl)-alpha,alpha-dimethyl-5-(2-quinolylmethoxy)indole-2-propionic acid
  • 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid
  • 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid
  • 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
  • mk 0591
  • quiflapon
CAS Number(s)
  • 136668-42-3
InChIKey NZOONKHCNQFYCI-UHFFFAOYSA-N
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