COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK273889
Chemical Name: 3-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1ccc(c(c1)Cl)OCCCc1nnc(n1C)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 453.35
Empirical Formula: C19H18Cl2N4O3S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 5.674
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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