COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK103565
Chemical Name: 5-(4-tert-butylphenyl)-4-[(2-nitrobenzylidene)amino]-4H-1,2,4-triazole-3-thiol
Smiles: [O-][N+](=O)c1ccccc1/C=N/n1c(S)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 381.46
Empirical Formula: C19H19N5O2S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.62
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 127
Number of rings: 3

     

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