3-{3-[(4-Azidophenyl)Sulfonyl]-1-(4-Iodobenzyl)-5-(2-Quinolinylmethoxy)-1H-Indol-2-Yl}-2,2-Dimethylpropanoic Acid

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Properties Simple | Detailed

Formula C36H30IN5O5S
IUPAC Name 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
Molecular Mass 771.623 g·mol−1
Heat of Formation -57.5 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 787.27 Å 3
Surface Area 497.75 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-2-propanoic acid, 3-((4-azidophenyl)sulfonyl)-1-((4-iodophenyl)methyl)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-
  • 3-((4-azidophenyl)sulfonyl)-2-((4-iodophenyl)methyl)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-1h-indole-2-propanoic acid
  • 3-[3-(4-azidophenyl)sulfonyl-1-(4-iodobenzyl)-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid
  • 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(2-quinolylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid
  • 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[3-(4-azidophenyl)sulfonyl-1-[(4-iodophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid
  • l 691678
  • l-691678
CAS Number(s)
  • 144210-49-1
InChIKey YDONNKKRJRSVEQ-UHFFFAOYSA-N
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