2-{[5-(5-Acetyl-1-{(2R)-2-Hydroxy-3-[4-(2-Hydroxy-2-Propanyl)-1-Piperidinyl]Propyl}-4,5,6,7-Tetrahydro-1H-Pyrazolo[4,3-C]Pyridin-3-Yl)-2-(Trifluoromethyl)Phenyl]Sulfanyl}-1-(1H-Pyrrol-1-Yl)Ethanone
Properties
| Property | Value |
|---|---|
| Formula | C32H40F3N5O4S |
| IUPAC Name | 2-[5-[5-acetyl-1-[(2r)-2-hydroxy-3-[4-(1-hydroxy-1-methyl-ethyl)-1-piperidyl]propyl]-6,7-dihydro-4h-pyrazolo[4,3-c]pyridin-1-ium-3a-id-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-(2h-pyrrol-1-ium-2-ylium-1-yl)ethanone |
| Molecular Mass | 647.751 g·mol−1 |
| Heat of Formation | -1092.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.39 ± 1.08 D |
| Volume | 753.05 Å 3 |
| Surface Area | 618.73 Å 2 |
| HOMO Energy | -8.93 ± 0.55 eV |
| LUMO Energy | 1.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YSYHOHUVRPHVAQ-XMMPIXPASA-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 |