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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Links |
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Elements |
H
C
Cl
O
N
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