COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416276
Chemical Name: 1-(4-bromophenyl)-2-{[5-(3,5-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1cc(OC)cc(c1)c1nnc(n1CC)SCC(=O)c1ccc(cc1)Br

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Molecular Weight: 462.37
Empirical Formula: C20H20BrN3O3S

Physical State: Dry powder
Available Amount: 212 mg

Lipinsky:
logP: 5.85
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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