COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380525
Chemical Name: ethyl(5E)-5-(5-bromo-2,4-dimethoxybenzylidene)-2-{[(4-tert-butylphenyl)carbonyl]amino}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C/c2cc(Br)c(cc2OC)OC)/C1=O)NC(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 574.49
Empirical Formula: C27H28BrNO6S

Physical State: Dry powder
Available Amount: 1463 mg

Lipinsky:
logP: 6.432
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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