COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL035872
Chemical Name: 2-[(5E)-5-(4-ethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(4-nitrophenyl)acetamide
Smiles: CCOc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CC(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 443.5
Empirical Formula: C20H17N3O5S2

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 4.098
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 161
Number of rings: 3

     

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