COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074751
Chemical Name: ethyl(5E)-5-(3-nitrobenzylidene)-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C/c2cccc(c2)[N+](=O)[O-])/C1=O

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Molecular Weight: 441.42
Empirical Formula: C20H15N3O7S

Physical State: Dry powder
Available Amount: 406 mg

Lipinsky:
logP: 5.178
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 172
Number of rings: 3

     

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