3-Amino-N-(1,3-Benzodioxol-5-Ylmethyl)-6-(3,4-Dimethoxybenzyl)-4-(Trifluoromethyl)Thieno[2,3-B]Pyridine-2-Carboxamide

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Formula C26H22F3N3O5S
IUPAC Name 3-amino-n-(1,3-benzodioxol-5-ylmethyl)-6-[(3,4-dimethoxyphenyl)methyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
Molecular Mass 545.530 g·mol−1
Heat of Formation -1031.6 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 576.45 Å 3
Surface Area 503.84 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-n-(1,3-benzodioxol-5-ylmethyl)-6-(3,4-dimethoxybenzyl)-4-(trifluoromethyl)thieno[5,4-b]pyridine-2-carboxamide
  • 3-amino-n-(1,3-benzodioxol-5-ylmethyl)-6-[(3,4-dimethoxyphenyl)methyl]-4-(trifluoromethyl)-2-thieno[5,4-b]pyridinecarboxamide
  • 3-amino-n-(1,3-benzodioxol-5-ylmethyl)-6-[(3,4-dimethoxyphenyl)methyl]-4-(trifluoromethyl)thieno[5,4-b]pyridine-2-carboxamide
  • ss-1018
InChIKey BCRKDDGRDMAHSD-UHFFFAOYSA-N
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