COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053613
Chemical Name: (6Z)-5-imino-6-[3-(2-phenoxyethoxy)benzylidene]-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/c1cccc(c1)OCCOc1ccccc1)C(F)(F)F

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Saltdata: HCl
Molecular Weight: 460.44
Empirical Formula: C21H15F3N4O3S

Physical State: Dry powder
Available Amount: 434 mg

Lipinsky:
logP: 4.019
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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