COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472963
Chemical Name: 4-[(3,4-dimethylphenyl)sulfonyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 434.54
Empirical Formula: C19H22N4O4S2

Physical State: Dry powder
Available Amount: 346 mg

Lipinsky:
logP: 3.525
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 138
Number of rings: 3

     

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