Mubritinib

C₂₅H₂₃F₃N₄O₂CAS 366017-09-6468.48 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ether

Properties

Molecular formula: C₂₅H₂₃F₃N₄O₂
Molar mass: 468.48 g/mol
Exact mass: 468.1773 Da
logP: 6.06Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 10
Double bonds: EE/Z, in SMILES order

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

366017-09-6

SMILES

FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1

InChIKey

ZTFBIUXIQYRUNT-MDWZMJQESA-N

InChI

InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+

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Names and synonyms

4 names

1H-1,2,3-Triazole, 1-[4-[4-[[2-[(1E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-4-oxazolyl]methoxy]phenyl]butyl]-
1-[4-[4-[[2-[(1E)-2-[4-(Trifluoromethyl)phenyl]ethenyl]-4-oxazolyl]methoxy]phenyl]butyl]-1H-1,2,3-triazole
1-(4-[4-[(2-[(E)-2-[4-(Trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl)methoxy]phenyl]butyl)-1H-1,2,3-triazole
TAK 165

Work with Mubritinib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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