COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK171221
Chemical Name: 1-(3-ethoxy-4-methoxybenzyl)-4-[(4-nitrophenyl)sulfonyl]piperazine
Smiles: CCOc1cc(ccc1OC)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

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Saltdata: C2H2O4
Molecular Weight: 435.5
Empirical Formula: C20H25N3O6S

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 3.535
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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