N-(4-Methoxyphenyl)-N~2~-[1-(2-Methylphenyl)-4-Oxo-4,5-Dihydro-1H-Pyrazolo[3,4-D]Pyrimidin-6-Yl]-L-Alaninamide
Properties
| Property | Value |
|---|---|
| Formula | C22H22N6O3 |
| IUPAC Name | (2s)-n-(4-methoxyphenyl)-2-[[1-(o-tolyl)-4-oxo-3,5-dihydropyrazolo[3,4-d]pyrimidine-2,3,3a,6,7,7a-hexaid-6-yl]amino]propanamide |
| Molecular Mass | 418.448 g·mol−1 |
| Heat of Formation | 2894.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.38 ± 1.08 D |
| Volume | 411.9 Å 3 |
| Surface Area | 337.77 Å 2 |
| HOMO Energy | -9.84 ± 0.55 eV |
| LUMO Energy | -3.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VHGPQZWYIWLLDA-AWEZNQCLSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |