COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK118501
Chemical Name: 1-(4-bromophenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: O=C(c1ccc(cc1)Br)CSc1nnc(n1C)COc1c(C)cccc1C

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Molecular Weight: 446.37
Empirical Formula: C20H20BrN3O2S

Physical State: Dry powder
Available Amount: 175 mg

Lipinsky:
logP: 5.455
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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