COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055100
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)OC)OC)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 517.65
Empirical Formula: C29H31N3O4S

Physical State: Dry powder
Available Amount: 410 mg

Lipinsky:
logP: 8.293
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 100
Number of rings: 4

     

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