COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419105
Chemical Name: (5E)-3-(3,4-dimethylphenyl)-5-[3-(2,4-dinitrophenoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2cccc(c2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C(=O)N1c1ccc(c(c1)C)C

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Molecular Weight: 507.55
Empirical Formula: C24H17N3O6S2

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 6.429
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 178
Number of rings: 4

     

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