(2R)-4-(6-Chloro-3-Pyridazinyl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)Phenyl]Sulfonyl}-2-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C24H23ClF3N5O5S
IUPAC Name (1s,2r,4s)-4-(6-chloropyridazin-3-yl)-n-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-2-carboxamide
Molecular Mass 585.983 g·mol−1
Heat of Formation -1102.6 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 613.06 Å 3
Surface Area 500.39 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
InChIKey HCWZBSIWWSGFFI-HXUWFJFHSA-N
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