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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Links |
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Elements |
C
F
H
Cl
O
N
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