COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK397242
Chemical Name: 5-{3-bromo-4-[(4-nitrobenzyl)oxy]benzylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: O=C1OC(C)(OC(=O)/C/1=C\c1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-])C(C)(C)C

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Molecular Weight: 504.33
Empirical Formula: C23H22BrNO7

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 4.058
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 3

     

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