COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532004
Chemical Name: (6E)-6-{2-[2-(4-tert-butylphenoxy)ethoxy]benzylidene}-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccccc1OCCOc1ccc(cc1)C(C)(C)C)C(F)(F)F

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Molecular Weight: 516.54
Empirical Formula: C25H23F3N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.737
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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