3-Chloro-N-{4-Chloro-2-[(5-Chloro-2-Pyridinyl)Carbamoyl]-6-Methoxyphenyl}-4-{[4,5-Dihydro-1,3-Oxazol-2-Yl(Methyl)Amino]Methyl}-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C23H21Cl3N5O4S
IUPAC Name 3-chloro-n-[4-chloro-2-[(5-chloropyridin-1-ium-5-id-2-yl)carbamoyl]-6-methoxy-phenyl]-4-[[4,5-dihydrooxazol-2-yl(methyl)amino]methyl]thiophene-2-carboxamide
Molecular Mass 569.868 g·mol−1
Heat of Formation -329.3 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 610.59 Å 3
Surface Area 473.11 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-n-[4-chloro-2-[(5-chloro-2-pyridyl)carbamoyl]-6-methoxy-phenyl]-4-[(4,5-dihydrooxazol-2-yl-methyl-amino)methyl]thiophene-2-carboxamide
  • 3-chloro-n-[4-chloro-2-[(5-chloropyridin-2-yl)carbamoyl]-6-methoxy-phenyl]-4-[(4,5-dihydro-1,3-oxazol-2-yl-methyl-amino)methyl]thiophene-2-carboxamide
  • 3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide
  • 3-chloro-n-[4-chloro-2-[[(5-chloro-2-pyridyl)amino]-oxomethyl]-6-methoxyphenyl]-4-[(4,5-dihydrooxazol-2-yl-methylamino)methyl]-2-thiophenecarboxamide
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InChIKey FBXIHZSULWMHJY-UHFFFAOYSA-N
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