COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL272060
Chemical Name: 2-{3-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1-(3-nitrophenyl)ethanone
Smiles: Brc1ccc(cc1)OCc1nn(c(=S)n1c1ccccc1C)CC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 539.41
Empirical Formula: C24H19BrN4O4S

Available Amount: 0 mg

Lipinsky:
logP: 5.499
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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