1-[5-Tert-Butyl-2-(3-Chloro-4-Hydroxy-Phenyl)Pyrazol-3-Yl]-3-[[2-[[3-[2-(2-Hydroxyethylsulfanyl)Phenyl]-1H-[1,2,4]Triazolo[4,3-A]Pyridin-4-Ium-6-Yl]Sulfanyl]Phenyl]Methyl]Urea
Properties
| Property | Value |
|---|---|
| Formula | C35H35ClN7O3S2+ |
| IUPAC Name | 1-[5-tert-butyl-2-(3-chloro-4-hydroxy-phenyl)pyrazol-3-yl]-3-[[2-[[3-[2-(2-hydroxyethylsulfanyl)phenyl]-1h-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-yl]sulfanyl]phenyl]methyl]urea |
| Molecular Mass | 701.280 g·mol−1 |
| Heat of Formation | 170.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.94 ± 1.08 D |
| Volume | 806.31 Å 3 |
| Surface Area | 619.48 Å 2 |
| HOMO Energy | -8.87 ± 0.55 eV |
| LUMO Energy | 1.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HZUUQIYTAUIUPL-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |