2-Sec-Butyl-4-{4-[4-(4-{[(2S,4R)-2-(2,4-Difluorophenyl)-2-(1H-1,2,4-Triazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methoxy}Phenyl)-1-Piperazinyl]Phenyl}-2,4-Dihydro-3H-1,2,4-Triazol-3-One
Properties
| Property | Value |
|---|---|
| Formula | C35H38F2N8O4 |
| IUPAC Name | 4-[4-[4-[4-[[(2r,4s)-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 | -430.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.38 ± 1.08 D |
| Volume | 774.7 Å 3 |
| Surface Area | 496.91 Å 2 |
| HOMO Energy | -8.14 ± 0.55 eV |
| LUMO Energy | 2.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HUADITLKOCMHSB-DFMJLFEVSA-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 |