COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL271985
Chemical Name: 1-{3-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one
Smiles: C=CCn1c(COc2ccc(cc2)Br)nn(c1=S)CC(=O)C(C)(C)C

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Molecular Weight: 424.36
Empirical Formula: C18H22BrN3O2S

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 3.081
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 77
Number of rings: 2

     

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