COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186756
Chemical Name: 1-(4-bromophenyl)-2-({4-ethyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: CCn1c(SCC(=O)c2ccc(cc2)Br)nnc1COc1ccccc1C

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Molecular Weight: 446.37
Empirical Formula: C20H20BrN3O2S

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 5.527
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 3

     

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