5-[2-Ethoxy-5-(4-Methylpiperazin-1-Yl)Sulfonyl-Phenyl]-1-Methyl-3-Propyl-6H-Pyrazolo[4,3-D]Pyrimidin-4-Ium-7A-Id-7-One
Properties
| Property | Value |
|---|---|
| Formula | C22H37N6O4S+ |
| IUPAC Name | (3s,3ar,5r,7as)-5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-3,3a,4,5,6,7a-hexahydro-2h-pyrazolo[4,3-d]pyrimidin-6-ium-7-one |
| Molecular Mass | 481.632 g·mol−1 |
| Heat of Formation | -376.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.90 ± 1.08 D |
| Volume | 553.4 Å 3 |
| Surface Area | 468.68 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | -1.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LZPRRFRYJLWSCS-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |