[4-[[2-[(4-Aminocyclohexyl)Amino]-9-(3-Fluorophenyl)Purine-1,3,7-Triium-6-Yl]Amino]Phenyl]-(1-Piperidyl)Methanone
Properties
Property | Value |
---|---|
Formula | C29H33FN8O |
IUPAC Name | [4-[[2-[(4-aminocyclohexyl)amino]-9-(3-fluorophenyl)purine-1,3,7-triium-6-yl]amino]phenyl]-(1-piperidyl)methanone |
Molecular Mass | 528.624 g·mol−1 |
Heat of Formation | 22.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.53 ± 1.08 D |
Volume | 636.51 Å 3 |
Surface Area | 498.02 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | 2.23 ± eV |
Point Group Symmetry | C1 |
InChIKey | HAIFFSYOJSGYJV-AFARHQOCSA-O |
QR Code | Generate QR Code |
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Elements | H C N O F |