COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK279888
Chemical Name: ethyl2-(acetylamino)-7-(acetyloxy)-4,6-dinitro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)C)sc2c1c(cc(c2OC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 411.35
Empirical Formula: C15H13N3O9S

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 4.218
Rotatable bonds: 5
H-donors: 1
H-acceptors: 9
PSA: 201
Number of rings: 2

     

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