Macitentan

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Properties Simple | Detailed

Formula C19H20Br2N6O4S
IUPAC Name 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-n-(propylsulfamoyl)pyrimidin-4-amine
Molecular Mass 588.273 g·mol−1
Heat of Formation -281.2 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 554.28 Å 3
Surface Area 466.34 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-n-(propylsulfamoyl)pyrimidin-4-amine
  • 5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-n-(propylsulfamoyl)-4-pyrimidinamine
  • [5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]sulfamoyl-propyl-amine
InChIKey JGCMEBMXRHSZKX-UHFFFAOYSA-N
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Elements C H O N S Br