6-[2'-(Methylsulfonyl)-4-Biphenylyl]-1-[3-(5-Oxo-2,5-Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl]-3-(Trifluoromethyl)-1,4,5,6-Tetrahydro-7H-Pyrazolo[3,4-C]Pyridin-7-One
Properties
| Property | Value |
|---|---|
| Formula | C28H21F3N6O4S |
| IUPAC Name | 6-[4-(2-methylsulfonylphenyl)phenyl]-1-[3-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one |
| Molecular Mass | 594.564 g·mol−1 |
| Heat of Formation | -625.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.77 ± 1.08 D |
| Volume | 620.47 Å 3 |
| Surface Area | 522.26 Å 2 |
| HOMO Energy | -9.29 ± 0.55 eV |
| LUMO Energy | -1.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LOIQROHBNJYIKB-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |