Trans-4-[(4-{4-[3-(Methylsulfonyl)Propoxy]-1H-Indazol-1-Yl}-2-Pyrimidinyl)Amino]Cyclohexanol
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C S O N |