Formula |
C22H28FN9O3S |
IUPAC Name |
4-[2-[(5-fluoro-6-methoxy-3-pyridyl)amino]-5-[(1r)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridyl]-6-methyl-1,3,5-triazin-2-amine |
Molecular Mass |
517.580 g·mol−1 |
Heat of Formation |
-300.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.92 ± 1.08 D |
Volume |
579.78 Å 3 |
Surface Area |
492.34 Å 2 |
HOMO Energy |
-8.28 ± 0.55 eV |
LUMO Energy |
1.97 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KUGIFHQBIIHRIZ-CYBMUJFWSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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