COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL026036
Chemical Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: CCn1c(nnc1COc1ccc(cc1)Cl)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 404.88
Empirical Formula: C18H17ClN4O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.016
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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