4-[6,6-Dimethyl-4-Oxo-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1H-Indazol-1-Yl]-2-[(4-Hydroxycyclohexyl)Amino]Benzamide

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Properties Simple | Detailed

Formula C23H27F3N4O3
IUPAC Name 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-ium-2-id-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
Molecular Mass 464.481 g·mol−1
Heat of Formation -1043.6 ± 16.7 kJ·mol−1
Dipole Moment 9.90 ± 1.08 D
Volume 524.42 Å 3
Surface Area 432.59 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
InChIKey ZFVRYNYOPQZKDG-XBXGTLAGSA-N
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