COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL378608
Chemical Name: (5E)-3-(4-bromophenyl)-5-[4-(butan-2-yloxy)-3-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCC(Oc1ccc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1ccc(cc1)Br)C

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Molecular Weight: 478.43
Empirical Formula: C21H20BrNO3S2

Physical State: Dry powder
Available Amount: 943 mg

Lipinsky:
logP: 6.465
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 3

     

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