Formula |
C25H28N8O3 |
IUPAC Name |
1-[4-[4-morpholin-4-yl-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea |
Molecular Mass |
488.542 g·mol−1 |
Heat of Formation |
-44.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.37 ± 1.08 D |
Volume |
557.49 Å 3 |
Surface Area |
484.35 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
2.33 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WXUUCRLKXQMWRY-OYRHEFFESA-N |
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Links |
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Elements |
H
C
O
N
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