| Formula |
C25H22ClF3N6O3 |
| IUPAC Name |
(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]propanoic acid |
| Molecular Mass |
546.929 g·mol−1 |
| Heat of Formation |
-746.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
0.86 ± 1.08 D |
| Volume |
595.06 Å 3 |
| Surface Area |
492.27 Å 2 |
| HOMO Energy |
-9.26 ± 0.55 eV |
| LUMO Energy |
-1.05 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
NCLGDOBQAWBXRA-PGRDOPGGSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
Cl
O
N
|
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