COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031850
Chemical Name: (5E)-5-(3-chloro-5-ethoxy-4-{3-[5-methyl-2-(propan-2-yl)phenoxy]propoxy}benzylidene)-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Smiles: C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCCCOc2cc(C)ccc2C(C)C)/C1=O

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Molecular Weight: 546.15
Empirical Formula: C28H32ClNO4S2

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 7.804
Rotatable bonds: 12
H-donors: 0
H-acceptors: 4
PSA: 105
Number of rings: 3

     

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