COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380787
Chemical Name: (5E)-5-(4-ethoxybenzylidene)-3-[2-(4-nitrophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
Smiles: CCOc1ccc(cc1)/C=C\1/SC(=O)N(C1=O)CC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 412.42
Empirical Formula: C20H16N2O6S

Physical State: Liquid
Available Amount: 997 mg

Lipinsky:
logP: 4.264
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 134
Number of rings: 3

     

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