COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371623
Chemical Name: (5Z)-5-{3-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-3-ethyl-2-thioxoimidazolidin-4-one
Smiles: CCN1C(=S)N/C(=C\c2cc(Br)c(c(c2)OC)OCc2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 492.35
Empirical Formula: C20H18BrN3O5S

Physical State: Dry powder
Available Amount: 1156 mg

Lipinsky:
logP: 4.521
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 128
Number of rings: 3

     

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