1-[4-(4-Amino-5-Oxo-Pyrido[2,3-D]Pyrimidine-1,3-Diium-4A-Id-8-Yl)Phenyl]-3-[2-Fluoro-5-(Trifluoromethyl)Phenyl]Urea

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Formula C21H15F4N6O2
IUPAC Name 1-[4-(4-amino-5-oxo-pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-8-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular Mass 459.376 g·mol−1
Heat of Formation -761.6 ± 16.7 kJ·mol−1
Dipole Moment 5.46 ± 1.08 D
Volume 466.2 Å 3
Surface Area 420.08 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 1.87 ± eV
Point Group Symmetry C1
InChIKey PCLUNNWWXGBJHP-UHFFFAOYSA-O
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