COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001891
Chemical Name: ethyl2-(acetylamino)-6,6-dibromo-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C)sc2c1CCC(C2=O)(Br)Br

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Molecular Weight: 439.12
Empirical Formula: C13H13Br2NO4S

Physical State: Dry powder
Available Amount: 3371 mg

Lipinsky:
logP: 4.037
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 2

     

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