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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Elements |
H
C
Cl
O
N
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