COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374722
Chemical Name: ethyl(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)OCC)S/C(=C\c2ccc(s2)Br)/C1=O

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Molecular Weight: 480.4
Empirical Formula: C20H18BrNO4S2

Physical State: Dry powder
Available Amount: 435 mg

Lipinsky:
logP: 6.029
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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