(2-{[4-(4-Chloro-2,5-Dimethoxyphenyl)-5-(2-Cyclohexylethyl)-1,3-Thiazol-2-Yl]Carbamoyl}-5,7-Dimethyl-1H-Indol-1-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C22H16ClN3O5S
IUPAC Name dioxirane; 2-[2-[(5-methyl-4-methylene-3h-pyrrol-1-ium-2-carbonyl)amino]-5-octa-1,4,6-triynyl-5h-thiazol-3-ium-4-yl]-3-oxo-prop-2-enoyl chloride
Molecular Mass 469.898 g·mol−1
Heat of Formation 2422.3 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 429.53 Å 3
Surface Area 352.46 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -3.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoic acid
  • 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)-5-(2-cyclohexylethyl)thiazol-2-yl]carbamoyl]-5,7-dimethyl-indol-1-yl]acetic acid
  • 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl]-5,7-dimethylindol-1-yl]acetic acid
  • 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-2-thiazolyl]amino]-oxomethyl]-5,7-dimethyl-1-indolyl]acetic acid
InChIKey NFDFTMICKVDYLQ-UHFFFAOYSA-N
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