Formula |
C32H27F4N5O3 |
IUPAC Name |
n-[(1r)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-n-(pyridin-3-ylmethyl)acetamide |
Molecular Mass |
605.582 g·mol−1 |
Heat of Formation |
-854.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.10 ± 1.08 D |
Volume |
670.5 Å 3 |
Surface Area |
510.92 Å 2 |
HOMO Energy |
-9.13 ± 0.55 eV |
LUMO Energy |
2.10 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XMRGQUDUVGRCBS-HXUWFJFHSA-N |
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Links |
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Elements |
H
C
N
O
F
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