COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041120
Chemical Name: 4-(4-methylphenyl)-3-[(4-nitrobenzyl)sulfanyl]-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
Smiles: Cc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1Cc1cccs1

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Molecular Weight: 422.53
Empirical Formula: C21H18N4O2S2

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 6.286
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 130
Number of rings: 4

     

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