N-{3-[(5-Chloro-2-{[2-Methoxy-4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-4-Pyrimidinyl)Oxy]Phenyl}Acrylamide

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Formula C25H27ClN6O3
IUPAC Name n-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Molecular Mass 494.973 g·mol−1
Heat of Formation -40.2 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 578.67 Å 3
Surface Area 456.02 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey ITTRLTNMFYIYPA-UHFFFAOYSA-N
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Elements H C N O Cl