1801787-56-3

Name N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide
CAS 1801787-56-3
Molecular Formula C29H32F3N5O3
MDL Number MFCD28411621
Molecular Weight 555.59
MOL File 1801787-56-3.mol

Chemical Properties

Boiling point  693.0±55.0 °C(Predicted)
density  1.325±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  insoluble in EtOH; insoluble in H2O; ≥21.52 mg/mL in DMSO
form  powder
pka 8.84±0.10(Predicted)
color  white to light brown
InChI 1S/C7H5FN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h1,4H,3H2,(H,9,11,12)
InChIKey DJOVLOYCGXNVPI-UHFFFAOYSA-N
SMILES C1NC(=O)C=C(C(F)(F)F)C=1C(NC1C(N2CCN(C)CC2)=CC=C(C2=CC=CC(CN3CCOCC3)=C2)C=1)=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Irrit. 2

Hazard Information

Supplier