4-{[2-({4-[2-(4-Acetyl-1-Piperazinyl)-2-Oxoethyl]Phenyl}Amino)-5-Fluoro-4-Pyrimidinyl]Amino}-N-(2-Chlorophenyl)Benzamide

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Properties Simple | Detailed

Formula C31H29ClFN7O3
IUPAC Name 4-[[2-[4-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]anilino]-5-fluoro-pyrimidin-4-yl]amino]-n-(2-chlorophenyl)benzamide
Molecular Mass 602.058 g·mol−1
Heat of Formation -269.4 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 679.02 Å 3
Surface Area 590.48 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
InChIKey GAAHSFKFIMENOG-UHFFFAOYSA-N
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Elements C F H Cl O N