COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379012
Chemical Name: (5E)-5-{2-[(2,4-dichlorobenzyl)oxy]-4-(diethylamino)benzylidene}-3-(4-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCOc1ccc(cc1)N1C(=S)S/C(=C/c2ccc(cc2OCc2ccc(cc2Cl)Cl)N(CC)CC)/C1=O

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Molecular Weight: 587.59
Empirical Formula: C29H28Cl2N2O3S2

Physical State: Dry powder
Available Amount: 790 mg

Lipinsky:
logP: 9.319
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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