2117404-84-7

Name 5-[(4S)-5-Acetyl-1,2,3,4-tetrahydro-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-2-pyridinecarbonitrile
CAS 2117404-84-7
Molecular Formula C20H15F3N4O2
MDL Number MFCD31579863
Molecular Weight 400.35
MOL File 2117404-84-7.mol
show more

Chemical Properties

Boiling point  623.9±55.0 °C(Predicted)
density  1.42±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO:45.02(Max Conc. mg/mL);112.45(Max Conc. mM)
form  Solid
pka 9.35±0.70(Predicted)
color  Light yellow to yellow
Optical Rotation [α]/D -21 to -29°, c =0.5 in methanol
InChI 1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m0/s1
InChIKey PGIVGIFOWOVINL-SFHVURJKSA-N
SMILES CC(N1C2=CC=CC(C(F)(F)F)=C2)=C(C(C)=O)[C@H](C3=CN=C(C#N)C=C3)NC1=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Supplier

Send Inquriy