COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379576
Chemical Name: 3-benzyl-4-(2-methoxyethyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: COCCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1Cc1ccccc1

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Molecular Weight: 384.46
Empirical Formula: C19H20N4O3S

Physical State: Dry powder
Available Amount: 706 mg

Lipinsky:
logP: 3.968
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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