2-benzyl-3-(4-ethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-benzyl-3-(4-ethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
2-benzyl-3-(4-ethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-4630 |
| Compound Name: | 2-benzyl-3-(4-ethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C25 H23 N O4 |
| Smiles: | CCOc1ccc(cc1)C1C(C(O)=O)c2ccccc2C(N1Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8477 |
| logD: | 1.126 |
| logSw: | -3.8045 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.183 |
| InChI Key: | YJFQLOGTNHPUDR-UHFFFAOYSA-N |