Formula |
C18H17F3N10O2S |
IUPAC Name |
1-[5-methyl-2-(trifluoromethyl)-3-furyl]-3-[5-[2-[[6-(1h-1,2,4-triazol-5-ylamino)pyrimidin-4-yl]amino]ethyl]thiazol-2-yl]urea |
Molecular Mass |
494.454 g·mol−1 |
Heat of Formation |
-344.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.26 ± 1.08 D |
Volume |
513.61 Å 3 |
Surface Area |
476.9 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
1.84 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KNTGXMNWVXZIMW-UHFFFAOYSA-N |
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Elements |
C
F
H
O
N
S
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