6-(2-Fluoro-Benzyl)-2,4-Dimethyl-4,6-Dihydro-Thieno[2',3':4,5]Pyrrolo[2,3-D]Pyridazin-5-One

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Properties Simple | Detailed

Formula C17H14FN3OS
IUPAC Name 10-[(2-fluorophenyl)methyl]-4,7-dimethyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
Molecular Mass 327.376 g·mol−1
Heat of Formation 2222.4 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 343.88 Å 3
Surface Area 312.7 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(2-fluoro-benzyl)-2,4-dimethyl-4,6-dihydro-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one
  • mls000076148
  • smr000000723
InChIKey IEWYEWDDQWYJLU-UHFFFAOYSA-N
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