COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL379680
Chemical Name: (5E)-5-{3-ethoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C=C\1/SC(=O)N(C1=O)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 589.51
Empirical Formula: C26H18F3N3O8S

Physical State: Dry powder
Available Amount: 1335 mg

Lipinsky:
logP: 4.974
Rotatable bonds: 6
H-donors: 0
H-acceptors: 8
PSA: 172
Number of rings: 4

     

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