COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681598
Chemical Name: 2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Smiles: Brc1ccc(cc1)OCc1nnc(n1c1ccccc1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 539.41
Empirical Formula: C24H19BrN4O4S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 7.276
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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