COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473012
Chemical Name: N-(2-ethoxyphenyl)-4-[(4-nitrophenyl)sulfonyl]piperazine-1-carbothioamide
Smiles: CCOc1ccccc1NC(=S)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 450.54
Empirical Formula: C19H22N4O5S2

Physical State: Dry powder
Available Amount: 291 mg

Lipinsky:
logP: 2.847
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 148
Number of rings: 3

     

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