COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807655
Chemical Name: 1-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-({5-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: COc1cc(ccc1OC)c1nnc(n1c1cccc(c1)C(F)(F)F)SCC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C

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Molecular Weight: 627.73
Empirical Formula: C33H36F3N3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 10.478
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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