COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380513
Chemical Name: ethyl(5Z)-5-(5-bromo-2,4-dimethoxybenzylidene)-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2cc(Br)c(cc2OC)OC)/C1=O)NC(=O)c1ccccc1

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Molecular Weight: 518.38
Empirical Formula: C23H20BrNO6S

Physical State: Dry powder
Available Amount: 726 mg

Lipinsky:
logP: 4.744
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 116
Number of rings: 3

     

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