(1R,2S,3R,4R)-3-[(5-Fluoro-2-{[3-Methyl-4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-4-Pyrimidinyl)Amino]Bicyclo[2.2.1]Hept-5-Ene-2-Carboxamide

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Formula C24H30FN7O
IUPAC Name (1s,2s,3s,4r)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
Molecular Mass 451.540 g·mol−1
Heat of Formation 45.2 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 542.64 Å 3
Surface Area 458.32 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey KSOVGRCOLZZTPF-ALGWMNEGSA-N
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