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

Molecule SVG Image

Properties Simple | Detailed

Formula C35H38F2N8O4
IUPAC Name 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Molecular Mass 672.724 g·mol−1
Heat of Formation -366.1 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 769.75 Å 3
Surface Area 638.35 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey HUADITLKOCMHSB-OPVGUIJKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N