Formula |
C21H18Cl2N6O4 |
IUPAC Name |
(2s)-2-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxy-n-(5-chloro-2-pyridyl)-3-(2-hydroxyethoxy)propanamide |
Molecular Mass |
489.311 g·mol−1 |
Heat of Formation |
-141.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.21 ± 1.08 D |
Volume |
520.34 Å 3 |
Surface Area |
444.23 Å 2 |
HOMO Energy |
-9.33 ± 0.55 eV |
LUMO Energy |
1.88 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KTWRHJPPIZQGRW-KRWDZBQOSA-N |
QR Code |
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Links |
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Elements |
H
C
Cl
O
N
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