COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375380
Chemical Name: 3-benzyl-4-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Cc1cccc(c1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1Cc1ccccc1

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Molecular Weight: 416.5
Empirical Formula: C23H20N4O2S

Physical State: Dry powder
Available Amount: 850 mg

Lipinsky:
logP: 6.608
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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