COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK378068
Chemical Name: (5E)-3-butyl-5-[(1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)butan-2-ylidene]-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCCCN1C(=S)S/C(=C(/C=c/2\sc3c(n2CC)cc(cc3)OC)\CC)/C1=O

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Molecular Weight: 434.65
Empirical Formula: C21H26N2O2S3

Physical State: Dry powder
Available Amount: 513 mg

Lipinsky:
logP: 3.519
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 3

     

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