COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK796746
Chemical Name: 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: O=C1OC(C)(OC(=O)/C/1=C\c1cc(Br)c(c(c1)[N+](=O)[O-])O)C(C)(C)C

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Molecular Weight: 414.21
Empirical Formula: C16H16BrNO7

Physical State: Dry powder
Available Amount: 1006 mg

Lipinsky:
logP: 2.809
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 118
Number of rings: 2

     

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