COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK450352
Chemical Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3-methyl-1-benzofuran-2-yl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1cc(ccc1OC)CCn1c(S)nnc1c1oc2c(c1C)cccc2

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Molecular Weight: 395.48
Empirical Formula: C21H21N3O3S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 5.214
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 101
Number of rings: 4

     

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