2-{4-[(2S)-4-[(6-Amino-3-Pyridinyl)Sulfonyl]-2-(1-Propyn-1-Yl)-1-Piperazinyl]Phenyl}-1,1,1,3,3,3-Hexafluoro-2-Propanol
Properties
Property | Value |
---|---|
Formula | C21H20F6N4O3S |
IUPAC Name | 2-[4-[(1r,2s,4r)-4-[(6-amino-3-pyridyl)sulfonyl]-2-prop-1-ynyl-piperazin-1-yl]phenyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol |
Molecular Mass | 522.464 g·mol−1 |
Heat of Formation | -1389.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.28 ± 1.08 D |
Volume | 545.63 Å 3 |
Surface Area | 429.62 Å 2 |
HOMO Energy | -8.79 ± 0.55 eV |
LUMO Energy | -1.02 ± eV |
Point Group Symmetry | C1 |
InChIKey | SIFKNECWLVONIH-INIZCTEOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |