COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK808484
Chemical Name: 3-nitro-N-[2,2,2-trichloro-1-({[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}amino)ethyl]benzamide
Smiles: S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 550.17
Empirical Formula: C17H11Cl4F3N4O3S

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 6.459
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 131
Number of rings: 2

     

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