7-{2-[4-(2,4-Difluorophenyl)-1-Piperazinyl]Ethyl}-2-(2-Furyl)-7H-Pyrazolo[4,3-E][1,2,4]Triazolo[1,5-C]Pyrimidin-5-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C22H21F2N9O
IUPAC Name 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(2-furyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
Molecular Mass 465.459 g·mol−1
Heat of Formation 306.1 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 514.64 Å 3
Surface Area 455.28 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey JZAMQDDHRXHDFR-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F