COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040764
Chemical Name: 4-({(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino)-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: C=CCc1cccc(c1O)/C=N/n1c(=S)[nH]nc1c1cccc(c1)OC(C)C

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Molecular Weight: 394.5
Empirical Formula: C21H22N4O2S

Physical State: Dry powder
Available Amount: 121 mg

Lipinsky:
logP: 4.446
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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