(2R)-4-(2,6-Dimethoxy-4-Pyrimidinyl)-N-(4-Methoxybenzyl)-1-{[4-(Trifluoromethoxy)Phenyl]Sulfonyl}-2-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C26H28F3N5O7S
IUPAC Name (2r)-4-(2,6-dimethoxypyrimidin-4-yl)-n-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazine-2-carboxamide
Molecular Mass 611.590 g·mol−1
Heat of Formation -1476.0 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 650.57 Å 3
Surface Area 532.71 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey KPMIAKLULQWSOC-OAQYLSRUSA-N
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