COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK642109
Chemical Name: 1-(4-{(3S,4R)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}piperazin-1-yl)ethanone
Smiles: COc1ccc(cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCN(CC1)C(=O)C)C

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Molecular Weight: 430.55
Empirical Formula: C18H26N2O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.091
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 117
Number of rings: 3

     

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