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

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Properties Simple | Detailed

Formula C33H38N2O3S
IUPAC Name 3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol
Molecular Mass 542.731 g·mol−1
Heat of Formation -239.2 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 681.18 Å 3
Surface Area 503.07 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-methoxy-4-(pyrrolidin-1-ylmethyl)benzyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-6-ol
  • 3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-2-[4-(2-1-pyrrolidinylethoxy)phenyl]-6-benzothiophenol
  • 3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol
InChIKey MIGQQNQBSBENQE-UHFFFAOYSA-N
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