Formula |
C31H31F3N6O2S |
IUPAC Name |
3-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]-n-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide |
Molecular Mass |
608.677 g·mol−1 |
Heat of Formation |
-458.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.45 ± 1.08 D |
Volume |
682.19 Å 3 |
Surface Area |
589.14 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
-1.25 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VTWWRKFUHCSCEW-UHFFFAOYSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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