COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382846
Chemical Name: 2-ethoxy-4-(piperidin-1-ylcarbonothioyl)phenyl2,4-dinitrobenzoate
Smiles: CCOc1cc(ccc1OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=S)N1CCCCC1

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Molecular Weight: 459.48
Empirical Formula: C21H21N3O7S

Physical State: Dry powder
Available Amount: 378 mg

Lipinsky:
logP: 4.085
Rotatable bonds: 6
H-donors: 0
H-acceptors: 7
PSA: 162
Number of rings: 3

     

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