Gsk2636771

C₂₂H₂₂F₃N₃O₃CAS 1372540-25-4433.43 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₂₂H₂₂F₃N₃O₃
Molar mass: 433.43 g/mol
Exact mass: 433.1613 Da
logP: 4.26Crippen estimate
Polar surface area: 67.6 Å²
H-bond donors / acceptors: 1 / 4
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

1372540-25-4

SMILES

CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C(C=C(C=C32)N4CCOCC4)C(=O)O)C

InChIKey

XTKLTGBKIDQGQL-UHFFFAOYSA-N

InChI

InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)

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Work with Gsk2636771

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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