COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037456
Chemical Name: 4-[(E)-{2-[(1,3-benzothiazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-2,6-di-tert-butylphenolate
Smiles: O=C(CSc1sc2c([nH+]1)cccc2)N/N=C/c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(C)C

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Molecular Weight: 455.65
Empirical Formula: C24H29N3O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.131
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 132
Number of rings: 3

     

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