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