COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840065
Chemical Name: ethyl6-bromo-2-tert-butyl-5-[(4-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(oc2c1cc(OCc1ccc(cc1)[N+](=O)[O-])c(c2)Br)C(C)(C)C

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Molecular Weight: 476.32
Empirical Formula: C22H22BrNO6

Physical State: Dry powder
Available Amount: 352 mg

Lipinsky:
logP: 6.74
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 94
Number of rings: 3

     

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