COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427819
Chemical Name: (5E)-5-[2-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN1C(=S)S/C(=C/c2cccc(c2Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])OC)/C1=O

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Molecular Weight: 461.48
Empirical Formula: C19H15N3O7S2

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 2.222
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 187
Number of rings: 3

     

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