COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK487894
Chemical Name: 1-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-3,3-dimethylbutan-1-one
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C)CC(C)(C)C

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Molecular Weight: 352.5
Empirical Formula: C18H28N2O3S

Physical State: Dry powder
Available Amount: 347 mg

Lipinsky:
logP: 3.585
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 66
Number of rings: 2

     

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