COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059247
Chemical Name: 1-(4-ethoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole-5-thiolate
Smiles: CCOc1ccc(cc1[N+](=O)[O-])Cn1c(C)nc(c1[S-])[N+](=O)[O-]

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Saltdata: NH4+
Molecular Weight: 337.34
Empirical Formula: C13H13N4O5S

Physical State: Dry powder
Available Amount: 264 mg

Lipinsky:
logP: 2.628
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 118
Number of rings: 2

     

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