COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418684
Chemical Name: (5E)-5-{2-[(4-nitrobenzyl)oxy]benzylidene}-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccccc2OCc2ccc(cc2)[N+](=O)[O-])/C(=O)N1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 493.52
Empirical Formula: C23H15N3O6S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.577
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 178
Number of rings: 4

     

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