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

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Properties Simple | Detailed

Formula C18H12BrN5O4S
IUPAC Name n-[[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-nitrobenzamide
Molecular Mass 474.288 g·mol−1
Heat of Formation 2616.3 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 433.72 Å 3
Surface Area 391.98 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -2.78 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-nitro-benzamide
  • n-[[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]carbamoyl]-2-nitrobenzamide
  • n-[[4-[(5-bromopyrimidin-2-yl)thio]phenyl]carbamoyl]-2-nitro-benzamide
  • n-[[[4-[(5-bromo-2-pyrimidinyl)thio]phenyl]amino]-oxomethyl]-2-nitrobenzamide
InChIKey VGWNSNNCXCIKIF-UHFFFAOYSA-N
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Elements C S O Br N