chempirical

Pf 04418948

C23H20FNO5CAS 1078166-57-0409.41 g/mol

Open in Covalent MOL file
OONOFOHO
AmideAryl halideCarboxylic acidEther

Properties

Molecular formula
C23H20FNO5
Molar mass
409.41 g/mol
Exact mass
409.1326 Da
logP
3.59Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

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
1078166-57-0
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)OCC3(CN(C3)C(=O)C4=CC=C(C=C4)F)C(=O)O
InChIKey
LWJGMYMNSNVCEM-UHFFFAOYSA-N
InChI
InChI=1S/C23H20FNO5/c1-29-19-8-4-17-11-20(9-5-16(17)10-19)30-14-23(22(27)28)12-25(13-23)21(26)15-2-6-18(24)7-3-15/h2-11H,12-14H2,1H3,(H,27,28)

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Work with Pf 04418948

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

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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