Ly2811376

C₁₅H₁₄F₂N₄SCAS 1194044-20-6320.36 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₁₅H₁₄F₂N₄S
Molar mass: 320.36 g/mol
Exact mass: 320.0907 Da
logP: 3.09Crippen estimate
Polar surface area: 64.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

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

1194044-20-6

SMILES

C[C@]1(CCSC(=N1)N)C2=C(C=C(C(=C2)C3=CN=CN=C3)F)F

InChIKey

MJQMRGWYPNIERM-HNNXBMFYSA-N

InChI

InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1

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Work with Ly2811376

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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