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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Links |
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Elements |
H
C
N
O
Cl
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