COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378700
Chemical Name: (5Z)-5-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN1C(=S)S/C(=C\c2cc(Br)ccc2OCc2ccc(cc2)[N+](=O)[O-])/C1=O

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Molecular Weight: 479.38
Empirical Formula: C19H15BrN2O4S2

Physical State: Dry powder
Available Amount: 344 mg

Lipinsky:
logP: 4.883
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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