1-(4-{1-(1,4-Dioxaspiro[4.5]Dec-8-Yl)-4-[(1R,5S)-8-Oxa-3-Azabicyclo[3.2.1]Oct-3-Yl]-1H-Pyrazolo[3,4-D]Pyrimidin-6-Yl}Phenyl)-3-Methylurea
Properties
| Property | Value |
|---|---|
| Formula | C27H33N7O4 |
| IUPAC Name | 1-[4-[1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-[(1s,5r)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-6-yl]phenyl]-3-methyl-urea |
| Molecular Mass | 519.595 g·mol−1 |
| Heat of Formation | -324.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.11 ± 1.08 D |
| Volume | 604.45 Å 3 |
| Surface Area | 490.99 Å 2 |
| HOMO Energy | -8.45 ± 0.55 eV |
| LUMO Energy | 2.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QLHHRYZMBGPBJG-OYRHEFFESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |