N-{6-[(2R)-2,3-Dihydroxypropoxy]-5-(2-Methoxyphenoxy)-2-(4-Methoxyphenyl)-4-Pyrimidinyl}-4-(2-Methyl-2-Propanyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C31H35N3O8S
IUPAC Name 4-tert-butyl-n-[6-[(2r)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide
Molecular Mass 609.690 g·mol−1
Heat of Formation -1036.2 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 712.68 Å 3
Surface Area 507.68 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 4-tert-butyl-n-[6-[(2r)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)-4-pyrimidinyl]benzenesulfonamide
  • 4-tert-butyl-n-[6-[(2r)-2,3-dihydroxypropoxy]-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide
  • 4-tert-butyl-n-[6-glyceryloxy-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-yl]benzenesulfonamide
  • ro468443
InChIKey DRIHNVYRUGBDHI-JOCHJYFZSA-N
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