COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL070650
Chemical Name: 3-(4-chlorophenyl)-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)Cl

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Molecular Weight: 374.85
Empirical Formula: C17H15ClN4O2S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 5.667
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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