4-{2-Amino-3-[5-Fluoro-2-(Methylamino)-6-Quinazolinyl]-4-Methylbenzoyl}-1-Methyl-2,5-Diphenyl-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C33H27FN6O2
IUPAC Name 4-[2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methyl-benzoyl]-1-methyl-2,5-diphenyl-pyrazole-1,2-diium-3-one
Molecular Mass 558.605 g·mol−1
Heat of Formation 148.5 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 654.94 Å 3
Surface Area 510.88 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey HBWCGZWIVPNFPT-UHFFFAOYSA-N
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