COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380530
Chemical Name: ethyl(5Z)-2-{[(4-tert-butylphenyl)carbonyl]amino}-5-{3,5-dichloro-4-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(S/C(=C\c2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C)/C1=O)NC(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 624.58
Empirical Formula: C33H31Cl2NO5S

Physical State: Dry powder
Available Amount: 1318 mg

Lipinsky:
logP: 8.892
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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