(2Z)-1-[5-(4-Fluorobenzyl)-2-Furyl]-3-Hydroxy-3-(1H-1,2,4-Triazol-3-Yl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C16H12FN3O3
IUPAC Name (z)-3-(4-aza-2-azonia-1-azanidacyclopenta-2,4-dien-3-yl)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-prop-2-en-1-one
Molecular Mass 313.283 g·mol−1
Heat of Formation -221.4 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 350.74 Å 3
Surface Area 323.04 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-1-[5-(4-fluorobenzyl)-2-furyl]-3-hydroxy-3-(2h-1,2,4-triazol-3-yl)prop-2-en-1-one
  • (z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(2h-1,2,4-triazol-3-yl)prop-2-en-1-one
  • (z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(2h-1,2,4-triazol-3-yl)prop-2-en-1-one
  • 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1h-1,2,4-triazol-3-yl)propene
  • 1-[5-(4-fluorobenzyl)furan-2-yl]-3-hydroxy-3-(1h-1,2,4-triazol-3-yl)propene
  • 2-propen-1-one, 1-(5-((4-fluorophenyl)methyl)-2-furanyl)-3-hydroxy-3-(1h-1,2,4-triazol-3-yl)-
  • 2-propen-1-one, 1-[5-[(4-fluorophenyl)methyl]-2-furanyl]-3-hydroxy-3-(1h-1,2,4-triazol-3-yl)-
  • gsk-s-1360
  • gw-810781
  • gw810781
  • s 1360
  • s-1360
CAS Number(s)
  • 280571-30-4
InChIKey HFHDGHOGHWXXDT-ZSOIEALJSA-N
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