1-[2-(2-Furyl)-8-Propyl-8H-Pyrazolo[4,3-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5-Yl]-3-(4-Methoxyphenyl)Urea

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Properties Simple | Detailed

Formula C21H20N8O3
IUPAC Name 1-[4-(2-furyl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
Molecular Mass 432.435 g·mol−1
Heat of Formation 311.5 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 482.25 Å 3
Surface Area 450.75 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • -
  • 0
  • 2
  • 3
  • 8
  • f
  • r
InChIKey CJRNHKSLHHWUAB-UHFFFAOYSA-N
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