1242137-16-1

Name N-desMethyl EnzalutaMide
CAS 1242137-16-1
Molecular Formula C20H14F4N4O2S
MDL Number MFCD24386671
Molecular Weight 450.41
MOL File 1242137-16-1.mol

Chemical Properties

Melting point  >230oC (dec.)
Boiling point  572.4±60.0 °C(Predicted)
density  1.55±0.1 g/cm3(Predicted)
storage temp.  Amber Vial, Refrigerator
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Very Slightly, Heated)
form  Solid
pka 14.86±0.50(Predicted)
color  White to Off-White
Stability: Light Sensitive
InChI InChI=1S/C20H14F4N4O2S/c1-19(2)17(30)27(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)28(19)12-5-6-13(16(26)29)15(21)8-12/h3-8H,1-2H3,(H2,26,29)
InChIKey JSFOGZGIBIQRPU-UHFFFAOYSA-N
SMILES C(N)(=O)C1=CC=C(N2C(=S)N(C3=CC=C(C#N)C(C(F)(F)F)=C3)C(=O)C2(C)C)C=C1F

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