COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK462187
Chemical Name: 2-(3-methyl-4-nitrophenoxy)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)COc1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 423.39
Empirical Formula: C20H20F3N3O4

Physical State: Dry powder
Available Amount: 638 mg

Lipinsky:
logP: 3.953
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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