1-[4-(4-Aminothieno[2,3-D]Pyrimidin-5-Yl)Phenyl]-3-[2-Fluoro-5-(Trifluoromethyl)Phenyl]Urea

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Properties Simple | Detailed

Formula C20H13F4N5OS
IUPAC Name 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular Mass 447.409 g·mol−1
Heat of Formation -608.0 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 461.78 Å 3
Surface Area 409.67 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[4-(4-amino-5-thieno[5,4-d]pyrimidinyl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
InChIKey PTVPBWWDGZSEAF-UHFFFAOYSA-N
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