2-(((4-(2-Chlorophenyl)-2-Thiazolyl)Amino)Carbonyl)-1H-Indole-1-Acetic Acid

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Properties Simple | Detailed

Formula C20H14ClN3O3S
IUPAC Name 2-[2-[[4-(2-chlorophenyl)thiazol-2-yl]carbamoyl]indol-1-ium-1-yl]acetic acid
Molecular Mass 411.861 g·mol−1
Heat of Formation -86.5 ± 16.7 kJ·mol−1
Dipole Moment 1.26 ± 1.08 D
Volume 442.42 Å 3
Surface Area 393.38 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-(4-(2-chlorophenyl)thiazol-2-yl)aminocarbonyl)indolyl)acetic acid
  • 1h-indole-1-acetic acid, 2-(((4-(2-chlorophenyl)-2-thiazolyl)amino)carbonyl)-
  • 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid
  • 2-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]ethanoic acid
  • 2-[2-[[4-(2-chlorophenyl)thiazol-2-yl]carbamoyl]indol-1-yl]acetic acid
  • 2-[2-[[[4-(2-chlorophenyl)-2-thiazolyl]amino]-oxomethyl]-1-indolyl]acetic acid
  • lintitript
  • pdsp1_000946
  • pdsp2_000932
  • sr 27897
  • sr 27897b
  • sr-27897
  • sr27897
CAS Number(s)
  • 136381-85-6
InChIKey ILNRQFBVVQUOLP-UHFFFAOYSA-N
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