2-{4-[(2S)-4-[(6-Amino-3-Pyridinyl)Sulfonyl]-2-(1-Propyn-1-Yl)-1-Piperazinyl]Phenyl}-1,1,1-Trifluoro-4-Hexyn-2-Ol

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Properties Simple | Detailed

Formula C24H25F3N4O3S
IUPAC Name (2r)-2-[4-[(2s)-4-[(6-amino-3-pyridyl)sulfonyl]-2-prop-1-ynyl-piperazin-1-yl]phenyl]-1,1,1-trifluoro-hex-4-yn-2-ol
Molecular Mass 506.541 g·mol−1
Heat of Formation -569.2 ± 16.7 kJ·mol−1
Dipole Moment 9.89 ± 1.08 D
Volume 571.63 Å 3
Surface Area 457.89 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey DWZSLEBNXFXVGP-NZQKXSOJSA-N
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