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

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Properties Simple | Detailed

Formula C23H18Cl3N5O3S
IUPAC Name 3-chloro-n-[4-chloro-2-[(5-chloro-2-pyridyl)carbamoyl]-6-methoxy-phenyl]-4-[(3-methyl-4h-imidazol-3-ium-4-ylium-2-yl)methyl]thiophene-2-carboxamide
Molecular Mass 550.845 g·mol−1
Heat of Formation -168.1 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 578.73 Å 3
Surface Area 425.99 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-n-[4-chloro-2-[(5-chloro-2-pyridyl)carbamoyl]-6-methoxy-phenyl]-4-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
  • 3-chloro-n-[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxy-phenyl]-4-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
  • 3-chloro-n-[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxyphenyl]-4-[(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
  • 3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridyl)amino]-oxomethyl]-6-methoxyphenyl]-4-[(1-methyl-2-imidazolyl)methyl]-2-thiophenecarboxamide
InChIKey WBFPCLIRIGEEBD-UHFFFAOYSA-N
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