Formula |
C23H27N7O3S2 |
IUPAC Name |
4-[2-(1h-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine |
Molecular Mass |
513.636 g·mol−1 |
Heat of Formation |
46.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.73 ± 1.08 D |
Volume |
567.66 Å 3 |
Surface Area |
478.63 Å 2 |
HOMO Energy |
-8.47 ± 0.55 eV |
LUMO Energy |
2.02 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LHNIIDJUOCFXAP-UHFFFAOYSA-N |
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Links |
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Elements |
H
S
C
O
N
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