COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK014542
Chemical Name: (6E)-6-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC

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Molecular Weight: 452.51
Empirical Formula: C23H21FN4O3S

Physical State: Dry powder
Available Amount: 392 mg

Lipinsky:
logP: 3.441
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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