COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL134922
Chemical Name: 2-[(4-ethyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
Smiles: CCN1C(=NS(=O)(=O)c2c1cccc2)SCC(=O)N1CCN(CC1)c1ccccc1F

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Molecular Weight: 462.57
Empirical Formula: C21H23FN4O3S2

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 2.919
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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