COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK997872
Chemical Name: 5-(4-tert-butylphenyl)-4-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Smiles: COc1cccc(c1OC)/C=N/n1c(S)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 396.51
Empirical Formula: C21H24N4O2S

Available Amount: 0 mg

Lipinsky:
logP: 6.238
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 100
Number of rings: 3

     

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