(±)-1-Sec-Butyl-4-[P-[4-[P-[[(2R*,4S*)-2-(2,4-Difluorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy]Phenyl]-1-Piperazinyl]Phenyl]-D2 -1,2,4-Triazolin-5-One
Properties
| Property | Value |
|---|---|
| Formula | C35H38F2N8O4 |
| IUPAC Name | 4-[4-[4-[4-[[(2s,4r)-2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1r)-1-methylpropyl]-1,2,4-triazol-3-one |
| Molecular Mass | 672.724 g·mol−1 |
| Heat of Formation | -356.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.66 ± 1.08 D |
| Volume | 777.73 Å 3 |
| Surface Area | 639.34 Å 2 |
| HOMO Energy | -8.25 ± 0.55 eV |
| LUMO Energy | 2.37 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HUADITLKOCMHSB-DKYCYSLVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |