4-Tert-Butyl-N-[6-(2-Hydroxyethoxy)-5-(3-Methoxyphenoxy)Pyrimidin-4-Yl]Benzenesulfonamide

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Formula C23H27N3O6S
IUPAC Name 4-tert-butyl-n-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide
Molecular Mass 473.542 g·mol−1
Heat of Formation -764.2 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 554.4 Å 3
Surface Area 413.03 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1,1-dimethylethyl)-n-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl)benzenesulfonamide
  • 4-tert-butyl-n-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl)benzenesulfonamide
  • 4-tert-butyl-n-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl]benzenesulfonamide
  • benzenesulfonamide, 4-(1,1-dimethylethyl)-n-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl)-
  • ro 46-2005
  • ro-46-2005
CAS Number(s)
  • 150725-87-4
InChIKey ZNXOKLWCOWOECF-UHFFFAOYSA-N
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