COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856644
Chemical Name: tert-butyl{[(2Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate
Smiles: O=C(OC(C)(C)C)COc1ccc2c(c1)O/C(=C\c1ccc(cc1)[N+](=O)[O-])/C2=O

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Molecular Weight: 397.38
Empirical Formula: C21H19NO7

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 3.725
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 107
Number of rings: 3

     

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