3-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

Chemical Structure Depiction of
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Available: 43 mg
Amount:
mg
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Compound characteristics

Compound ID: C066-1676
Compound Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Molecular Weight: 494.34
Molecular Formula: C22 H24 Br N O7
Smiles: CCOc1cc2C(C(c3cc(c(c(c3)[Br])O)OC)N(C)C(c2cc1OCC)=O)C(O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 1.7487
logD: -0.973
logSw: -1.9798
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 81.627
InChI Key: ODIQHYXIRGUGSQ-UHFFFAOYSA-N
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