COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379556
Chemical Name: 3-(4-chlorophenyl)-4-(2-methoxyethyl)-5-[(3-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: COCCn1c(SCc2cccc(c2)[N+](=O)[O-])nnc1c1ccc(cc1)Cl

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Molecular Weight: 404.88
Empirical Formula: C18H17ClN4O3S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 5.145
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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