COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427799
Chemical Name: (5E)-5-[4-(2,4-dinitrophenoxy)benzylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCN1C(=S)S/C(=C/c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C1=O

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Molecular Weight: 443.46
Empirical Formula: C19H13N3O6S2

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 3.787
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 178
Number of rings: 3

     

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