COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060486
Chemical Name: (6E)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-chloro-5-ethoxybenzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCOc1cc(cc(c1OCCOc1ccc(cc1)C(C)(C)C)Cl)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC

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Molecular Weight: 555.1
Empirical Formula: C28H31ClN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.885
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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