COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038923
Chemical Name: 4-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}methyl)benzoate
Smiles: COc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 473.6
Empirical Formula: C27H27N3O3S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 8.111
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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