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
Properties
Property | Value |
---|---|
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 |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |