COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560764
Chemical Name: 5-(4-tert-butylphenyl)-4-{[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: Brc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(cc2)C(C)(C)C)c(c(c1)Br)O

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Molecular Weight: 510.25
Empirical Formula: C19H18Br2N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.671
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 92
Number of rings: 3

     

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