(2E)-3-{5-[(2,4-Diamino-5-Pyrimidinyl)Methyl]-2,3-Dimethoxyphenyl}-1-[(1R)-1-[2-(4-Morpholinyl)-5-Pyrimidinyl]-2(1H)-Phthalazinyl]-2-Propen-1-One
Properties
| Property | Value |
|---|---|
| Formula | C32H33N9O4 |
| IUPAC Name | (e)-3-[5-[(2,4-diaminopyrimidine-1,3-diium-5-id-5-yl)methyl]-2,3-dimethoxy-phenyl]-1-[(1s)-1-(2-morpholinopyrimidine-1,3-diium-5-id-5-yl)-1h-phthalazin-2-yl]prop-2-en-1-one |
| Molecular Mass | 607.662 g·mol−1 |
| Heat of Formation | 30.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.89 ± 1.08 D |
| Volume | 708.71 Å 3 |
| Surface Area | 578.13 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | -1.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YTQNXENPQFRJGI-YIXADMSASA-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 |