Formula |
C27H26ClF3N6O3 |
IUPAC Name |
ethyl (2s)-2-amino-3-[4-[2-amino-6-[(1r)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoro-ethoxy]pyrimidin-4-yl]phenyl]propanoate |
Molecular Mass |
574.982 g·mol−1 |
Heat of Formation |
-769.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.93 ± 1.08 D |
Volume |
640.34 Å 3 |
Surface Area |
509.4 Å 2 |
HOMO Energy |
-9.29 ± 0.55 eV |
LUMO Energy |
-1.07 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MDSQOJYHHZBZKA-GBXCKJPGSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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