Formula |
C29H33FN8O |
IUPAC Name |
[4-[[2-[(4-aminocyclohexyl)amino]-9-(3-fluorophenyl)purin-6-yl]amino]phenyl]-(1-piperidyl)methanone |
Molecular Mass |
528.624 g·mol−1 |
Heat of Formation |
11.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.17 ± 1.08 D |
Volume |
635.06 Å 3 |
Surface Area |
503.38 Å 2 |
HOMO Energy |
-8.54 ± 0.55 eV |
LUMO Energy |
-0.71 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KRCOMOOXOZSNAJ-AFARHQOCSA-N |
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Elements |
H
C
F
O
N
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