COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK152685
Chemical Name: (5E)-5-[4-(butan-2-yloxy)-3-chloro-5-methoxybenzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Smiles: CCC(Oc1c(Cl)cc(cc1OC)/C=C\1/SC(=O)N(C1=O)Cc1cccc(c1)[N+](=O)[O-])C

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Molecular Weight: 476.94
Empirical Formula: C22H21ClN2O6S

Physical State: Dry powder
Available Amount: 643 mg

Lipinsky:
logP: 5.985
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 126
Number of rings: 3

     

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