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

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Properties Simple | Detailed

Formula C23H26N3O6S
IUPAC Name 4-tert-butyl-n-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide
Molecular Mass 472.534 g·mol−1
Heat of Formation -298.3 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 530.8 Å 3
Surface Area 379.88 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.70 ± 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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