Formula |
C32H32N10O3 |
IUPAC Name |
1-[4-[4-morpholino-1-[1-(pyridine-3-carbonyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(4-pyridyl)urea |
Molecular Mass |
604.662 g·mol−1 |
Heat of Formation |
200.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.15 ± 1.08 D |
Volume |
692.18 Å 3 |
Surface Area |
587.03 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
-0.97 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HLHOHTNONYACFD-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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