Formula |
C20H27FN4O4S |
IUPAC Name |
6-ethyl-5-fluoro-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1h-pyrimidin-4-one |
Molecular Mass |
438.516 g·mol−1 |
Heat of Formation |
-703.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.04 ± 1.08 D |
Volume |
513.83 Å 3 |
Surface Area |
424.97 Å 2 |
HOMO Energy |
-9.00 ± 0.55 eV |
LUMO Energy |
-1.24 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MMOIQVJIHPNAIU-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
O
N
S
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