Bay-876

C₂₄H₁₆F₄N₆O₂CAS 1799753-84-6496.43 g/mol

Open in Covalent MOL file

Alkyl halide Amide Aryl halide Nitrile

Properties

Molecular formula: C₂₄H₁₆F₄N₆O₂
Molar mass: 496.43 g/mol
Exact mass: 496.1271 Da
logP: 4.17Crippen estimate
Polar surface area: 126.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1799753-84-6

SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C(F)(F)F)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N

InChIKey

BKLJDIJJOOQUFG-UHFFFAOYSA-N

InChI

InChI=1S/C24H16F4N6O2/c1-12-20(21(24(26,27)28)33-34(12)11-14-4-2-13(10-29)3-5-14)32-23(36)17-9-19(22(30)35)31-18-8-15(25)6-7-16(17)18/h2-9H,11H2,1H3,(H2,30,35)(H,32,36)

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Work with Bay-876

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Elsewhere

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