COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379654
Chemical Name: (5E)-3-(1,3-benzodioxol-5-yl)-5-(4-butoxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCOc1ccc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccc2c(c1)OCO2

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Molecular Weight: 443.54
Empirical Formula: C22H21NO5S2

Physical State: Dry powder
Available Amount: 1246 mg

Lipinsky:
logP: 5.739
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 114
Number of rings: 4

     

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