Bafetinib

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Formula C30H31F3N8O
IUPAC Name 4-[[(1s,3s)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-n-[4-methyl-3-[(5-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
Molecular Mass 576.615 g·mol−1
Heat of Formation -288.2 ± 16.7 kJ·mol−1
Dipole Moment 7.90 ± 1.08 D
Volume 667.69 Å 3
Surface Area 565.63 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey ZOPBZHLJXQAQON-VWLOTQADSA-N
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