COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809576
Chemical Name: ethyl4-phenyl-2-[(2,2,2-trichloro-1-{[(2-nitrophenyl)carbonyl]amino}ethyl)amino]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1ccccc1[N+](=O)[O-]

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Molecular Weight: 542.83
Empirical Formula: C22H18Cl3N3O5S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 8.141
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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