1-(2-Aminobenzoyl)-3-(4-(5-Bromopyrimidin-2-Ylsulfanyl)Phenyl)Urea

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Properties Simple | Detailed

Formula C18H14BrN5O2S
IUPAC Name 2-amino-n-[[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]carbamoyl]benzamide
Molecular Mass 444.305 g·mol−1
Heat of Formation 65.8 ± 16.7 kJ·mol−1
Dipole Moment 6.89 ± 1.08 D
Volume 439.91 Å 3
Surface Area 400.26 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-n-[[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]carbamoyl]benzamide
  • 2-amino-n-[[4-[(5-bromopyrimidin-2-yl)thio]phenyl]carbamoyl]benzamide
  • 2-amino-n-[[[4-[(5-bromo-2-pyrimidinyl)thio]phenyl]amino]-oxomethyl]benzamide
InChIKey NLTDHYZPTNFBOK-UHFFFAOYSA-N
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Elements C H O N S Br