COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573716
Chemical Name: methyl4-[(E)-{[3-(4-tert-butylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 394.5
Empirical Formula: C21H22N4O2S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 4.762
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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