COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052677
Chemical Name: 3-[(4-nitrobenzyl)sulfanyl]-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1c1ccccc1

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Molecular Weight: 352.42
Empirical Formula: C18H16N4O2S

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 5.199
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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