Formula |
C23H22N6O3S |
IUPAC Name |
3-[(1s)-1-[3-(2-methoxyethoxy)-6-quinolyl]ethyl]-5-(3-methylisothiazol-5-yl)triazolo[4,5-c]pyridin-4-one |
Molecular Mass |
462.524 g·mol−1 |
Heat of Formation |
184.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.43 ± 1.08 D |
Volume |
525.83 Å 3 |
Surface Area |
461.77 Å 2 |
HOMO Energy |
-9.01 ± 0.55 eV |
LUMO Energy |
1.89 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ACDVIHRBYWUYPZ-HNNXBMFYSA-N |
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Links |
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Elements |
H
S
C
O
N
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