N-[4-({[(2,6-Dichloro-3,5-Dimethoxyphenyl)Carbamoyl](6-{[4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-4-Pyrimidinyl)Amino}Methyl)Phenyl]Propanamide

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Properties Simple | Detailed

Formula C34H38Cl2N8O4
IUPAC Name n-[4-[[(2,6-dichloro-3,5-dimethoxy-phenyl)carbamoyl-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]propanamide
Molecular Mass 693.623 g·mol−1
Heat of Formation -291.8 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 783.89 Å 3
Surface Area 652.73 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey JQGSJUDIVJFQRL-UHFFFAOYSA-N
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