chempirical

Fevipiprant

C19H17F3N2O4SCAS 872365-14-5426.41 g/mol

Open in Covalent MOL file
NSOOFFFNOHO
Alkyl halideCarboxylic acidSulfone

Properties

Molecular formula
C19H17F3N2O4S
Molar mass
426.41 g/mol
Exact mass
426.0861 Da
logP
3.44Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
1 / 4
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
872365-14-5
SMILES
CC1=C(C2=C(N1CC3=C(C=C(C=C3)S(=O)(=O)C)C(F)(F)F)N=CC=C2)CC(=O)O
InChIKey
GFPPXZDRVCSVNR-UHFFFAOYSA-N
InChI
InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)

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Work with Fevipiprant

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

Similar compounds

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

Elsewhere

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