COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK232387
Chemical Name: 4-ethyl-3-(3-methylphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1cccc(c1)C

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Molecular Weight: 354.43
Empirical Formula: C18H18N4O2S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 5.363
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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