COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742923
Chemical Name: 5-(3-bromo-4,5-dimethoxybenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Smiles: COc1c(Br)cc(cc1OC)/C=C/1\C(=O)OC(OC1=O)(C)C(C)(C)C

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Molecular Weight: 413.27
Empirical Formula: C18H21BrO6

Physical State: Dry powder
Available Amount: 342 mg

Lipinsky:
logP: 2.674
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 71
Number of rings: 2

     

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