COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039740
Chemical Name: 4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCCCc1ccc(cc1)n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 399.51
Empirical Formula: C21H25N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.821
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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