Formula |
C33H33N9O2 |
IUPAC Name |
(3r)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-n-[3-(4-pyridyl)-1h-indazol-5-yl]pyrrolidine-3-carboxamide |
Molecular Mass |
587.674 g·mol−1 |
Heat of Formation |
392.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.80 ± 1.08 D |
Volume |
689.6 Å 3 |
Surface Area |
590.64 Å 2 |
HOMO Energy |
-8.47 ± 0.55 eV |
LUMO Energy |
-1.35 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HDAJDNHIBCDLQF-RUZDIDTESA-N |
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Elements |
H
C
O
N
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