3-{4-[2-(1-Pyrrolidinyl)Ethoxy]Benzyl}-2-{6-[2-(1-Pyrrolidinyl)Ethoxy]-3-Pyridinyl}-1-Benzothiophene-6-Ol

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Properties Simple | Detailed

Formula C32H37N3O3S
IUPAC Name 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridyl]benzothiophen-6-ol
Molecular Mass 543.719 g·mol−1
Heat of Formation -198.4 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 669.33 Å 3
Surface Area 563.04 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol
  • 3-[4-(2-pyrrolidin-1-ylethoxy)benzyl]-2-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridyl]benzothiophen-6-ol
  • 3-[[4-(2-1-pyrrolidinylethoxy)phenyl]methyl]-2-[6-(2-1-pyrrolidinylethoxy)-3-pyridyl]-6-benzothiophenol
  • 3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2-[6-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1-benzothiophen-6-ol
  • bt3
InChIKey KEDLOQLGBOISAT-UHFFFAOYSA-N
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