3-(3-bromo-4-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
3-(3-bromo-4-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
3-(3-bromo-4-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-1717 |
| Compound Name: | 3-(3-bromo-4-methoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 478.34 |
| Molecular Formula: | C22 H24 Br N O6 |
| Smiles: | CCOc1cc2C(C(c3ccc(c(c3)[Br])OC)N(C)C(c2cc1OCC)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2262 |
| logD: | -0.4955 |
| logSw: | -2.8036 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.147 |
| InChI Key: | RLXHTYNYDDAWET-UHFFFAOYSA-N |