3-[(4-Quinolinylmethyl)Amino]-N-[4-(Trifluoromethoxy)Phenyl]-2-Thiophenecarboxamide

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Properties Simple | Detailed

Formula C22H16F3N3O2S
IUPAC Name 3-(4-quinolylmethylamino)-n-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
Molecular Mass 443.442 g·mol−1
Heat of Formation -576.6 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 473.12 Å 3
Surface Area 425.02 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-quinolylmethylamino)-n-[4-(trifluoromethoxy)phenyl]-2-thiophenecarboxamide
  • 3-(4-quinolylmethylamino)-n-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
  • 3-(quinolin-4-ylmethylamino)-n-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
InChIKey FGTCROZDHDSNIO-UHFFFAOYSA-N
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