COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056972
Chemical Name: 1-{[4-ethyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Smiles: COc1ccccc1c1nnc(n1CC)SCC(=O)C(C)(C)C

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Molecular Weight: 333.45
Empirical Formula: C17H23N3O2S

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 4.12
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 82
Number of rings: 2

     

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