3-(2,6-Dichloro-3,5-Dimethoxyphenyl)-1-(6-{[4-(4-Ethyl-1-Piperazinyl)Phenyl]Amino}-4-Pyrimidinyl)-1-Methylurea

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Formula C26H31Cl2N7O3
IUPAC Name 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methyl-urea
Molecular Mass 560.475 g·mol−1
Heat of Formation -158.1 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 630.48 Å 3
Surface Area 549.94 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey QADPYRIHXKWUSV-UHFFFAOYSA-N
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