Formula |
C20H27ClN4O4S |
IUPAC Name |
5-chloro-6-ethyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1h-pyrimidin-4-one |
Molecular Mass |
454.971 g·mol−1 |
Heat of Formation |
-563.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.76 ± 1.08 D |
Volume |
522.25 Å 3 |
Surface Area |
438.35 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-1.32 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HVJOKVUJWQTZFF-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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