1-{4-[2-(4-{1-[3-(Trifluoromethyl)-7,8-Dihydro[1,2,4]Triazolo[4,3-B]Pyridazin-6-Yl]-4-Piperidinyl}Phenoxy)Ethyl]-1-Piperazinyl}Ethanone
Properties
Property | Value |
---|---|
Formula | C25H32F3N7O2 |
IUPAC Name | 1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-piperidyl]phenoxy]ethyl]piperazin-1-yl]ethanone |
Molecular Mass | 519.562 g·mol−1 |
Heat of Formation | -566.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.42 ± 1.08 D |
Volume | 597.83 Å 3 |
Surface Area | 506.3 Å 2 |
HOMO Energy | -9.02 ± 0.55 eV |
LUMO Energy | 2.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | JMEYDSHPKCSIJC-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 |