COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379434
Chemical Name: 3-(4-chlorophenyl)-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1ccc(cc1)c1nnc(n1C)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 360.82
Empirical Formula: C16H13ClN4O2S

Physical State: Dry powder
Available Amount: 572 mg

Lipinsky:
logP: 5.135
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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