COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL420434
Chemical Name: 2-ethoxy-4-{(E)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl3-nitrobenzoate
Smiles: C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OCC)OC(=O)c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 470.53
Empirical Formula: C22H18N2O6S2

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 4.536
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 159
Number of rings: 3

     

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