COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369345
Chemical Name: 3-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Smiles: S=C(NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 492.73
Empirical Formula: C16H12Cl3N5O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.914
Rotatable bonds: 3
H-donors: 3
H-acceptors: 5
PSA: 176
Number of rings: 2

     

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