(2S)-2-{4-[(2S)-4-[(6-Amino-3-Pyridinyl)Sulfonyl]-2-(1-Propyn-1-Yl)-1-Piperazinyl]Phenyl}-3,3,3-Trifluoro-1,2-Propanediol
Properties
| Property | Value |
|---|---|
| Formula | C21H23F3N4O4S |
| IUPAC Name | (2s)-2-[4-[(2s)-4-[(6-amino-3-pyridyl)sulfonyl]-2-prop-1-ynyl-piperazin-1-yl]phenyl]-3,3,3-trifluoro-propane-1,2-diol |
| Molecular Mass | 484.492 g·mol−1 |
| Heat of Formation | -941.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.09 ± 1.08 D |
| Volume | 524.08 Å 3 |
| Surface Area | 434.38 Å 2 |
| HOMO Energy | -8.42 ± 0.55 eV |
| LUMO Energy | 2.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HZYIALCWDCIMRP-FXAWDEMLSA-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 |