COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK448350
Chemical Name: 5-{[(2-bromobenzyl)sulfanyl]methyl}-4-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1cc(ccc1OC)n1c(CSCc2ccccc2Br)nnc1S

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Molecular Weight: 452.4
Empirical Formula: C18H18BrN3O2S2

Physical State: Dry powder
Available Amount: 626 mg

Lipinsky:
logP: 5.739
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 3

     

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