Formula |
C20H27IN4O4S |
IUPAC Name |
6-ethyl-5-iodo-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1h-pyrimidin-4-one |
Molecular Mass |
546.422 g·mol−1 |
Heat of Formation |
-447.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.37 ± 1.08 D |
Volume |
541.26 Å 3 |
Surface Area |
441.82 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
-1.31 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
CLYYLXSJJMHCHN-UHFFFAOYSA-N |
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Elements |
C
I
H
O
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S
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