COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK048351
Chemical Name: 2-[(1-butyl-1H-benzimidazol-2-yl)sulfanyl]-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone
Smiles: CCCCn1c(SCC(=O)c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)nc2c1cccc2

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Saltdata: HBr
Molecular Weight: 452.66
Empirical Formula: C27H36N2O2S

Physical State: Dry powder
Available Amount: 233 mg

Lipinsky:
logP: 8.935
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 3

     

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