[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 |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |