(2E)-3-{5-[(2,4-Diamino-5-Pyrimidinyl)Methyl]-2,3-Dimethoxyphenyl}-1-[1-(3,3,3-Trifluoropropyl)-2(1H)-Phthalazinyl]-2-Propen-1-One
Properties
| Property | Value |
|---|---|
| Formula | C27H27F3N6O3 |
| IUPAC Name | (e)-3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-[(1s)-1-(3,3,3-trifluoropropyl)-1h-phthalazin-2-yl]prop-2-en-1-one |
| Molecular Mass | 540.537 g·mol−1 |
| Heat of Formation | -705.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.43 ± 1.08 D |
| Volume | 608.21 Å 3 |
| Surface Area | 527.72 Å 2 |
| HOMO Energy | -8.70 ± 0.55 eV |
| LUMO Energy | 2.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YOZBLXHLSFVRNH-CQQBXOTJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |