1-{(2R)-4-[5-(4-Fluorobenzyl)-2-Thienyl]-3-Butyn-2-Yl}-1-Hydroxyurea

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Properties Simple | Detailed

Formula C16H15FN2O2S
IUPAC Name 1-[(1r)-3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea
Molecular Mass 318.366 g·mol−1
Heat of Formation -66.2 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 368.43 Å 3
Surface Area 338.68 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • ((r)-3-(5-(p-fluorobenzyl)-2-thienyl)-1-methyl-2-propynyl-1-hydroxyurea
  • 1-[(1r)-3-[5-(4-fluorobenzyl)-2-thienyl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea
  • 1-[(1r)-3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea
  • 1-[(1r)-3-[5-[(4-fluorophenyl)methyl]-2-thienyl]-1-methylprop-2-ynyl]-1-hydroxyurea
  • 1-[(2r)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxy-urea
  • 1-[(2r)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
  • a-85761.0
  • abbott-85761
  • abt 761
  • abt-761
  • atreleuton
  • atreleuton (usan)
  • d03010
CAS Number(s)
  • 154355-76-7
InChIKey MMSNEKOTSJRTRI-LLVKDONJSA-N
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