COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK017296
Chemical Name: (6Z)-6-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-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/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])C(F)(F)F

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Saltdata: HCl
Molecular Weight: 514.24
Empirical Formula: C17H7BrF3N5O4S

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 3.767
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 153
Number of rings: 4

     

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