COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369348
Chemical Name: 3-methyl-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Smiles: S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)C)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 461.76
Empirical Formula: C17H15Cl3N4O3S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 5.327
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 131
Number of rings: 2

     

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