COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL358188
Chemical Name: (5E)-5-(3-bromo-4-methoxybenzylidene)-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: COc1ccc(cc1Br)/C=C\1/SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 449.28
Empirical Formula: C18H13BrN2O5S

Physical State: Dry powder
Available Amount: 1023 mg

Lipinsky:
logP: 4.539
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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