COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK767559
Chemical Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Smiles: S=C(N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)Nc1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 512.86
Empirical Formula: C19H15ClF6N4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.455
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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