chempirical

Oc000459

C21H17FN2O2CAS 851723-84-7348.38 g/mol

Open in Covalent MOL file
NOOHFN
Aryl halideCarboxylic acid

Properties

Molecular formula
C21H17FN2O2
Molar mass
348.38 g/mol
Exact mass
348.1274 Da
logP
4.31Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

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
851723-84-7
SMILES
CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=NC4=CC=CC=C4C=C3
InChIKey
FATGTHLOZSXOBC-UHFFFAOYSA-N
InChI
InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)

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Work with Oc000459

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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