COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL421066
Chemical Name: (4-benzylpiperazin-1-yl)(4-butyl-3-methyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)methanone
Smiles: CCCCN1C(=NS(=O)(=O)c2c1ccc(c2)C(=O)N1CCN(CC1)Cc1ccccc1)C

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Molecular Weight: 454.59
Empirical Formula: C24H30N4O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 1.406
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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