COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL412276
Chemical Name: 2-butyl-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-2-methyl-1,3-dioxane-4,6-dione
Smiles: CCCCC1(C)OC(=O)/C(=C/c2ccc(c(c2)OCC)OCc2ccc(cc2)[N+](=O)[O-])/C(=O)O1

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Molecular Weight: 469.49
Empirical Formula: C25H27NO8

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 4.204
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 3

     

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