COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280153
Chemical Name: ethyl2-(acetylamino)-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C)sc2c1ccc(c2OCC(=O)c1ccc(cc1)[N+](=O)[O-])Br

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Molecular Weight: 521.35
Empirical Formula: C21H17BrN2O7S

Physical State: Dry powder
Available Amount: 1208 mg

Lipinsky:
logP: 6.333
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 155
Number of rings: 3

     

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