Formula |
C27H24F3N5O2 |
IUPAC Name |
n-[2-(4-methylpiperazin-1-yl)-5-(3-quinolyl)phenyl]-6-oxo-4-(trifluoromethyl)-1h-pyridine-3-carboxamide |
Molecular Mass |
507.507 g·mol−1 |
Heat of Formation |
-562.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.88 ± 1.08 D |
Volume |
568.13 Å 3 |
Surface Area |
481.03 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
1.58 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BHSUCGLRVZHATB-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
N
O
F
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