COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041016
Chemical Name: {[5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: C=CCn1c(n[nH+]c1SCC(=O)[O-])c1ccc(cc1)C(C)(C)C

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Molecular Weight: 331.44
Empirical Formula: C17H21N3O2S

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 5.018
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 2

     

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