COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380517
Chemical Name: ethyl(5Z)-5-{2-[(2,4-dichlorobenzyl)oxy]benzylidene}-4-oxo-2-[(phenylcarbonyl)amino]-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2ccccc2OCc2ccc(cc2Cl)Cl)/C1=O)NC(=O)c1ccccc1

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Molecular Weight: 554.45
Empirical Formula: C28H21Cl2NO5S

Physical State: Dry powder
Available Amount: 789 mg

Lipinsky:
logP: 6.883
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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