3-Chloro-N-{4-Chloro-2-[(5-Chloro-2-Pyridinyl)Carbamoyl]-6-Methoxyphenyl}-4-{[2-(Methylamino)-1H-Imidazol-1-Yl]Methyl}-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C23H19Cl3N6O3S
IUPAC Name 3-chloro-n-[4-chloro-2-[(5-chloro-2-pyridyl)carbamoyl]-6-methoxy-phenyl]-4-[[2-(methylamino)imidazol-1-ium-3-id-1-yl]methyl]thiophene-2-carboxamide
Molecular Mass 565.859 g·mol−1
Heat of Formation -136.7 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 585.71 Å 3
Surface Area 432.68 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-n-[4-chloro-2-[(5-chloro-2-pyridyl)carbamoyl]-6-methoxy-phenyl]-4-[(2-methylaminoimidazol-1-yl)methyl]thiophene-2-carboxamide
  • 3-chloro-n-[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxy-phenyl]-4-[(2-methylaminoimidazol-1-yl)methyl]thiophene-2-carboxamide
  • 3-chloro-n-[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl]-4-[(2-methylaminoimidazol-1-yl)methyl]thiophene-2-carboxamide
  • 3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridyl)amino]-oxomethyl]-6-methoxyphenyl]-4-[(2-methylamino-1-imidazolyl)methyl]-2-thiophenecarboxamide
InChIKey LLHSZBPXQIOQJJ-UHFFFAOYSA-N
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