Trans-4-[(4-{4-[3-(Methylsulfonyl)Propoxy]-1H-Indazol-1-Yl}-2-Pyrimidinyl)Amino]Cyclohexanol

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Properties Simple | Detailed

Formula C21H27N5O4S
IUPAC Name 4-[[4-[4-(3-methylsulfonylpropoxy)indazol-1-ium-1-yl]pyrimidin-2-yl]amino]cyclohexanol
Molecular Mass 445.535 g·mol−1
Heat of Formation -346.6 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 513.38 Å 3
Surface Area 461.16 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey QTUUSRHXDAHSAU-WKILWMFISA-N
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