1146629-80-2

Name 1146629-80-2
CAS 1146629-80-2
Molecular Formula C23H28N6O2
Molecular Weight 420.51
MOL File 1146629-80-2.mol
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Chemical Properties

Boiling point  632.9±55.0 °C(Predicted)
density  1.28±0.1 g/cm3(Predicted)
pka 3.47±0.30(Predicted)
InChI InChI=1S/C23H28N6O2/c1-23(2,3)22(30)31-15-28-11-9-18-20(25-14-26-21(18)28)17-12-27-29(13-17)19(8-10-24)16-6-4-5-7-16/h9,11-14,16,19H,4-8,15H2,1-3H3/t19-/m1/s1
InChIKey VONAHXIMKYWQCQ-LJQANCHMSA-N
SMILES C(OCN1C2C(C=C1)=C(C1=CN([C@@H](C3CCCC3)CC#N)N=C1)N=CN=2)(=O)C(C)(C)C

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