COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL428414
Chemical Name: (5E)-3-ethyl-5-{4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Smiles: CCN1C(=S)S/C(=C/c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/C1=O

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Molecular Weight: 454.45
Empirical Formula: C19H13F3N2O4S2

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.111
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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