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

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Properties Simple | Detailed

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
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