COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427266
Chemical Name: 2-methoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl3-bromobenzoate
Smiles: C=CCN1C(=S)S/C(=C\c2ccc(c(c2)OC)OC(=O)c2cccc(c2)Br)/C1=O

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Molecular Weight: 490.4
Empirical Formula: C21H16BrNO4S2

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 5.067
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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