N-[N'-(4-Acetamido-3-Chloro-5-Methylbenzyl)Carbamimidoyl]-3-(4-Methoxyphenyl)-5-Methyl-1,2-Thiazole-4-Carboxamide

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Properties Simple | Detailed

Formula C23H24ClN5O3S
IUPAC Name n-[n-[(4-acetamido-3-chloro-5-methyl-phenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-isothiazole-4-carboxamide
Molecular Mass 485.986 g·mol−1
Heat of Formation -225.0 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 570.62 Å 3
Surface Area 448.65 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(4-acetamido-3-chloro-5-methylphenyl)methylimino-aminomethyl]-3-(4-methoxyphenyl)-5-methyl-4-isothiazolecarboxamide
  • n-[n'-(4-acetamido-3-chloro-5-methyl-benzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-isothiazole-4-carboxamide
  • n-[n'-[(4-acetamido-3-chloro-5-methyl-phenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
  • n-[n'-[(4-acetamido-3-chloro-5-methyl-phenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-isothiazole-4-carboxamide
  • n-[n'-[(4-acetamido-3-chloro-5-methylphenyl)methyl]carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
InChIKey MQPJKTGBSCCWTI-UHFFFAOYSA-N
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