COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK342762
Chemical Name: N-{3-[(4-bromophenyl)sulfanyl]-5-nitrophenyl}-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Smiles: Brc1ccc(cc1)Sc1cc(NC(=O)Cn2cnc(n2)[N+](=O)[O-])cc(c1)[N+](=O)[O-]

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Molecular Weight: 479.27
Empirical Formula: C16H11BrN6O5S

Physical State: Dry powder
Available Amount: 335 mg

Lipinsky:
logP: 4.145
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 176
Number of rings: 3

     

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