COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378651
Chemical Name: (5E)-3-(4-bromo-3-chlorophenyl)-5-{5-bromo-2-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: Brc1ccc(c(c1)/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)Cl)Br)OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 640.76
Empirical Formula: C23H13Br2ClN2O4S2

Physical State: Dry powder
Available Amount: 600 mg

Lipinsky:
logP: 8.217
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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