COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375024
Chemical Name: (5Z)-3-butyl-5-{3-chloro-4-[(3-nitrobenzyl)oxy]benzylidene}-1,3-thiazolidine-2,4-dione
Smiles: CCCCN1C(=O)S/C(=C\c2ccc(c(c2)Cl)OCc2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 446.91
Empirical Formula: C21H19ClN2O5S

Physical State: Dry powder
Available Amount: 1016 mg

Lipinsky:
logP: 5.88
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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