COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379665
Chemical Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1c(Br)cc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2

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Molecular Weight: 494.39
Empirical Formula: C20H16BrNO5S2

Physical State: Dry powder
Available Amount: 1216 mg

Lipinsky:
logP: 5.429
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 4

     

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