COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041396
Chemical Name: (2E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1c(Br)cc(cc1OC)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 414.28
Empirical Formula: C15H16BrN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.14
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 2

     

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