3-(2,5-dimethoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
3-(2,5-dimethoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
3-(2,5-dimethoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-1721 |
| Compound Name: | 3-(2,5-dimethoxyphenyl)-6,7-diethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C23 H27 N O7 |
| Smiles: | CCOc1cc2C(C(c3cc(ccc3OC)OC)N(C)C(c2cc1OCC)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9916 |
| logD: | -0.7301 |
| logSw: | -2.6194 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.691 |
| InChI Key: | IPYNHRCVGURKAH-UHFFFAOYSA-N |