Piperazine, 1-Benzoyl-4-[2-[4-Fluoro-7-(1H-1,2,3-Triazol-1-Yl)-1H-Pyrrolo[2,3-C]Pyridin-3-Yl]-1,2-Dioxoethyl]-
Properties
Property | Value |
---|---|
Formula | C22H18FN7O3 |
IUPAC Name | 1-[7-(3-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-4-fluoro-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione |
Molecular Mass | 447.422 g·mol−1 |
Heat of Formation | -29.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.00 ± 1.08 D |
Volume | 494.53 Å 3 |
Surface Area | 411.6 Å 2 |
HOMO Energy | -9.33 ± 0.55 eV |
LUMO Energy | 1.27 ± eV |
Point Group Symmetry | C1 |
InChIKey | YILIMUKOYIOIAY-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 |