COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL017788
Chemical Name: 4-benzyl-5-[1-(ethylsulfonyl)piperidin-3-yl]-4H-1,2,4-triazole-3-thiol
Smiles: CCS(=O)(=O)N1CCCC(C1)c1nnc(n1Cc1ccccc1)S

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Molecular Weight: 366.51
Empirical Formula: C16H22N4O2S2

Physical State: Dry powder
Available Amount: 722 mg

Lipinsky:
logP: 3.008
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 3

     

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