COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378716
Chemical Name: (5Z)-5-{3-bromo-4-[(3-nitrobenzyl)oxy]benzylidene}-3-ethyl-2-thioxoimidazolidin-4-one
Smiles: CCN1C(=S)N/C(=C\c2ccc(c(c2)Br)OCc2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 462.32
Empirical Formula: C19H16BrN3O4S

Physical State: Dry powder
Available Amount: 1199 mg

Lipinsky:
logP: 4.519
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 119
Number of rings: 3

     

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