COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL036781
Chemical Name: (2E)-2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-(hydroxyimino)ethyldiethylcarbamodithioate
Smiles: CCN(C(=S)SC/C(=N/O)/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CC

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Molecular Weight: 410.65
Empirical Formula: C21H34N2O2S2

Physical State: Dry powder
Available Amount: 1001 mg

Lipinsky:
logP: 6.96
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 113
Number of rings: 1

     

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