COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042626
Chemical Name: 4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: CCOc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccc(cc1)OC

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Molecular Weight: 462.53
Empirical Formula: C24H22N4O4S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 7.174
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 120
Number of rings: 4

     

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