COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037469
Chemical Name: 1-{4-[3-(3,5-dimethoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}ethanone
Smiles: COc1cc(OC)cc(c1)c1n[nH]c(=S)n1c1ccc(cc1)C(=O)C

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Molecular Weight: 355.42
Empirical Formula: C18H17N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.486
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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