Formula |
C29H22F3N5O2 |
IUPAC Name |
n-[3-(2-anilino-8-methyl-7-oxo-pyrido[2,3-d]pyrimidin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide |
Molecular Mass |
529.512 g·mol−1 |
Heat of Formation |
-519.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.83 ± 1.08 D |
Volume |
583.58 Å 3 |
Surface Area |
514.75 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-1.10 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IMLLFFIWQIAPHC-UHFFFAOYSA-N |
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Elements |
H
C
F
O
N
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