COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK822375
Chemical Name: diethyl3-methyl-5-[(2,2,2-trichloro-1-{[(3-nitrophenyl)carbonyl]amino}ethyl)amino]thiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(C(Cl)(Cl)Cl)NC(=O)c2cccc(c2)[N+](=O)[O-])sc(c1C)C(=O)OCC

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Molecular Weight: 552.82
Empirical Formula: C20H20Cl3N3O7S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.834
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 167
Number of rings: 2

     

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