COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455345
Chemical Name: N-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 410.42
Empirical Formula: C18H17F3N4O2S

Physical State: Dry powder
Available Amount: 532 mg

Lipinsky:
logP: 3.95
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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