COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570612
Chemical Name: {[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: CCOc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1ccc(cc1)OC

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Molecular Weight: 385.44
Empirical Formula: C19H19N3O4S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 5.305
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 3

     

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