2-({3-[5-Hydroxy-2-(3-Methylbutyl)-3-Oxo-6-(1,3-Thiazol-5-Yl)-2,3-Dihydro-4-Pyridazinyl]-1,1-Dioxido-2H-1,2,4-Benzothiadiazin-7-Yl}Oxy)Acetamide
Properties
Property | Value |
---|---|
Formula | C21H22N6O6S2 |
IUPAC Name | 2-[[3-(5-hydroxy-2-isopentyl-3-oxo-6-thiazol-5-yl-pyridazin-4-yl)-1,1-dioxo-2h-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetamide |
Molecular Mass | 518.566 g·mol−1 |
Heat of Formation | -580.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.56 ± 1.08 D |
Volume | 555.04 Å 3 |
Surface Area | 482.73 Å 2 |
HOMO Energy | -8.72 ± 0.55 eV |
LUMO Energy | 1.24 ± eV |
Point Group Symmetry | C1 |
InChIKey | BHOZAPTZGMCFHG-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |