COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357876
Chemical Name: (5E)-5-(2-bromo-4-ethoxy-5-methoxybenzylidene)-3-(2-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: CCOc1cc(Br)c(cc1OC)/C=C\1/SC(=O)N(C1=O)Cc1ccccc1[N+](=O)[O-]

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Molecular Weight: 493.33
Empirical Formula: C20H17BrN2O6S

Physical State: Dry powder
Available Amount: 1256 mg

Lipinsky:
logP: 5.471
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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