COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK245698
Chemical Name: 3-(5-chloro-1-benzofuran-2-yl)-4-methyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Smiles: Clc1ccc2c(c1)cc(o2)c1nnc(n1C)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 400.85
Empirical Formula: C18H13ClN4O3S

Physical State: Dry powder
Available Amount: 126 mg

Lipinsky:
logP: 5.049
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 114
Number of rings: 4

     

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