COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK361428
Chemical Name: ethyl4-[(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)Cn1nc(nc1Br)[N+](=O)[O-]

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Molecular Weight: 355.15
Empirical Formula: C12H11BrN4O4

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 3.269
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 2

     

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