Formula |
C26H27FN8O2 |
IUPAC Name |
4-(3-fluoro-5-morpholino-phenyl)-n-[4-(3-morpholino-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine |
Molecular Mass |
502.543 g·mol−1 |
Heat of Formation |
137.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.99 ± 1.08 D |
Volume |
581.49 Å 3 |
Surface Area |
477.35 Å 2 |
HOMO Energy |
-8.50 ± 0.55 eV |
LUMO Energy |
-1.39 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AHMHIFXJPSHHPH-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
F
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