2,5-Anhydro-1,3,4-Trideoxy-2-(2,4-Difluorophenyl)-6-O-{4-[4-(4-{1-[(2S,3S)-2-Hydroxy-3-Pentanyl]-5-Oxo-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl}Phenyl)-1-Piperazinyl]Phenyl}-1-(1H-1,2,4-Triazol-1-Yl)-D-Erythro-Hexitol
Properties
| Property | Value |
|---|---|
| Formula | C37H42F2N8O4 |
| IUPAC Name | 4-[4-[4-[4-[[(2s,5s)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-2-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(1s,2s)-1-ethyl-2-hydroxy-propyl]-1,2,4-triazol-3-one |
| Molecular Mass | 700.777 g·mol−1 |
| Heat of Formation | -435.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.10 ± 1.08 D |
| Volume | 822.78 Å 3 |
| Surface Area | 669.35 Å 2 |
| HOMO Energy | -8.36 ± 0.55 eV |
| LUMO Energy | 2.52 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IEAWASLYDSYMSP-OLBKAPGZSA-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 |