COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455835
Chemical Name: N-(2-methoxy-4-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Smiles: COc1cc(ccc1NC(=S)N1CCN(CC1)c1cccc(c1)C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 440.45
Empirical Formula: C19H19F3N4O3S

Physical State: Dry powder
Available Amount: 407 mg

Lipinsky:
logP: 4.222
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 105
Number of rings: 3

     

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