COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL002005
Chemical Name: ethyl6-bromo-7-oxo-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CC)sc2c1CCC(C2=O)Br

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Molecular Weight: 374.26
Empirical Formula: C14H16BrNO4S

Physical State: Dry powder
Available Amount: 1698 mg

Lipinsky:
logP: 3.883
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 2

     

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