N-(3-Fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-B]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

C₂₆H₂₀FN₅O₂S₂CAS 875337-44-3517.60 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether

Properties

Molecular formula: C₂₆H₂₀FN₅O₂S₂
Molar mass: 517.60 g/mol
Exact mass: 517.1042 Da
logP: 5.68Crippen estimate
Polar surface area: 81.1 Å²
H-bond donors / acceptors: 2 / 6
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

875337-44-3

SMILES

CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

InChIKey

UFICVEHDQUKCEA-UHFFFAOYSA-N

InChI

InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)

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Work with N-(3-Fluoro-4-(2-(1-methyl-1H-imidazol-4-yl)thieno[3,2-B]pyridin-7-yloxy)phenylcarbamothioyl)-2-phenylacetamide

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

Elsewhere

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