COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL415703
Chemical Name: 2-tert-butyl-5-(4-ethoxy-3-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCOc1ccc(cc1[N+](=O)[O-])/C=C/1\C(=O)OC(OC1=O)(C)C(C)(C)C

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Molecular Weight: 363.37
Empirical Formula: C18H21NO7

Physical State: Dry powder
Available Amount: 815 mg

Lipinsky:
logP: 2.338
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 2

     

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