COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378605
Chemical Name: (5E)-3-(4-bromo-3-chlorophenyl)-5-(2-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccccc2[N+](=O)[O-])/C(=O)N1c1ccc(c(c1)Cl)Br

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Molecular Weight: 455.74
Empirical Formula: C16H8BrClN2O3S2

Physical State: Dry powder
Available Amount: 867 mg

Lipinsky:
logP: 5.283
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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