COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK877690
Chemical Name: (5E)-3-(1,3-benzodioxol-5-ylmethyl)-5-(4-tert-butylbenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Smiles: S=C1S/C(=C/c2ccc(cc2)C(C)(C)C)/C(=O)N1Cc1ccc2c(c1)OCO2

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Molecular Weight: 411.55
Empirical Formula: C22H21NO3S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.249
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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