chempirical

Amg-517

C20H13F3N4O2SCAS 659730-32-2430.41 g/mol

Open in Covalent MOL file
ONHNSONNFFF
Alkyl halideAmideEther

Properties

Molecular formula
C20H13F3N4O2S
Molar mass
430.41 g/mol
Exact mass
430.0711 Da
logP
5.52Crippen estimate
Polar surface area
77.0 Ų
H-bond donors / acceptors
1 / 6
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
659730-32-2
SMILES
CC(=O)NC1=NC2=C(C=CC=C2S1)OC3=NC=NC(=C3)C4=CC=C(C=C4)C(F)(F)F
InChIKey
YUTIXVXZQIQWGY-UHFFFAOYSA-N
InChI
InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28)

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Names and synonyms

1 names
  • Amg 517

Work with Amg-517

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

N-(2-Chloro-4-(trifluoromethyl)phenyl)acetamide247170-19-036 % similar 3',5'-Bis(trifluoromethyl)acetanilide16143-84-333 % similar N-(4-Chloro-2-(trifluoromethoxy)phenyl)acetamide175278-36-131 % similar 2-Hydrazino-4-methylbenzothiazole20174-68-930 % similar 2-Acetamido-5-chlorothiazole20256-39-730 % similar

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

Elsewhere

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