COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130194
Chemical Name: 1-(4-bromophenyl)-2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: Brc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 495.36
Empirical Formula: C22H15BrN4O3S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 7.208
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 4

     

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