COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL412270
Chemical Name: 2-tert-butyl-5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-2-methyl-1,3-dioxane-4,6-dione
Smiles: COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\C(=O)OC(OC1=O)(C)C(C)(C)C

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Molecular Weight: 455.46
Empirical Formula: C24H25NO8

Physical State: Dry powder
Available Amount: 531 mg

Lipinsky:
logP: 3.307
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 116
Number of rings: 3

     

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