COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369581
Chemical Name: 3-nitro-N-(2,2,2-trichloro-1-{[(2,5-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
Smiles: S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1cc(Cl)ccc1Cl

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Molecular Weight: 516.62
Empirical Formula: C16H11Cl5N4O3S

Physical State: Dry powder
Available Amount: 423 mg

Lipinsky:
logP: 5.992
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 131
Number of rings: 2

     

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