COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015895
Chemical Name: 2-ethoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl2-nitrobenzenesulfonate
Smiles: C=CCN1C(=S)S/C(=C\c2ccc(c(c2)OCC)OS(=O)(=O)c2ccccc2[N+](=O)[O-])/C1=O

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Molecular Weight: 506.58
Empirical Formula: C21H18N2O7S3

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 3.746
Rotatable bonds: 8
H-donors: 0
H-acceptors: 7
PSA: 184
Number of rings: 3

     

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