1-[3-(5-Oxo-2,5-Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl]-6-[2'-(1-Pyrrolidinylmethyl)-4-Biphenylyl]-3-(Trifluoromethyl)-1,4,5,6-Tetrahydro-7H-Pyrazolo[3,4-C]Pyridin-7-One
Properties
| Property | Value |
|---|---|
| Formula | C32H28F3N7O2 |
| IUPAC Name | 1-[3-(5-oxo-1,2,4-triazole-1,4-diium-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one |
| Molecular Mass | 599.606 g·mol−1 |
| Heat of Formation | -291.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.37 ± 1.08 D |
| Volume | 681.25 Å 3 |
| Surface Area | 559.17 Å 2 |
| HOMO Energy | -8.94 ± 0.55 eV |
| LUMO Energy | 1.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QNPOXJFBWDKXGC-UHFFFAOYSA-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 |