COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531971
Chemical Name: (6E)-5-imino-6-(5-nitro-2-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: C=CCc1ccccc1OCCOc1ccc(cc1/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 545.5
Empirical Formula: C24H18F3N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.134
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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