2-(3,4-Dimethoxybenzyl)-7-[(2R,3R)-2-Hydroxy-6-Phenyl-3-Hexanyl]-5-Methylimidazo[5,1-F][1,2,4]Triazin-4(1H)-One
Properties
| Property | Value |
|---|---|
| Formula | C27H32N4O4 |
| IUPAC Name | 2-[(3,4-dimethoxyphenyl)methyl]-7-[(1r)-1-[(1r)-1-hydroxyethyl]-4-phenyl-butyl]-5-methyl-1h-imidazo[5,1-f][1,2,4]triazin-4-one |
| Molecular Mass | 476.567 g·mol−1 |
| Heat of Formation | -314.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.78 ± 1.08 D |
| Volume | 586.98 Å 3 |
| Surface Area | 429.4 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | 2.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MYTWFJKBZGMYCS-NQIIRXRSSA-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 |