1638178-87-6

Name ONC206
CAS 1638178-87-6
Molecular Formula C23H22F2N4O
Molecular Weight 408.44
MOL File 1638178-87-6.mol
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Chemical Properties

Boiling point  545.8±60.0 °C(Predicted)
density  1.36±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: 100 mg/mL (244.83 mM)
form  Solid
pka 6.21±0.20(Predicted)
color  Off-white to light yellow
InChI InChI=1S/C23H22F2N4O/c24-18-7-6-17(20(25)12-18)14-29-22(30)19-15-27(13-16-4-2-1-3-5-16)10-8-21(19)28-11-9-26-23(28)29/h1-7,12H,8-11,13-15H2
InChIKey ITMGVSSHWMTJRR-UHFFFAOYSA-N
SMILES C12=NCCN1C1CCN(CC3=CC=CC=C3)CC=1C(=O)N2CC1=CC=C(F)C=C1F

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