Formula |
C28H30ClN7O |
IUPAC Name |
2-(5-chloro-2-methyl-phenyl)-1-methyl-5-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide |
Molecular Mass |
516.037 g·mol−1 |
Heat of Formation |
252.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.41 ± 1.08 D |
Volume |
608.78 Å 3 |
Surface Area |
519.87 Å 2 |
HOMO Energy |
-8.24 ± 0.55 eV |
LUMO Energy |
2.30 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GTPKZTQLTICGMS-UHFFFAOYSA-N |
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Elements |
H
C
Cl
O
N
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