1818389-84-2

Name SPHINX31
CAS 1818389-84-2
Molecular Formula C27H24F3N5O2
MDL Number MFCD31810499
Molecular Weight 507.51
MOL File 1818389-84-2.mol
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Chemical Properties

Boiling point  569.0±50.0 °C(Predicted)
density  1.342±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  DMSO:17.5(Max Conc. mg/mL);34.48(Max Conc. mM)
Ethanol:12.0(Max Conc. mg/mL);23.65(Max Conc. mM)
form  A crystalline solid
pka 11.83±0.70(Predicted)
color  White to off-white
InChIKey VURLRACCOCGFDB-UHFFFAOYSA-N
SMILES O1C(C2C=CN=CC=2)=CC=C1C(NC1=CC(C(F)(F)F)=CC=C1N1CCN(CC2=NC=CC=C2)CC1)=O

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