2-benzyl-1-oxo-3-(4-propoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Chemical Structure Depiction of
2-benzyl-1-oxo-3-(4-propoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
2-benzyl-1-oxo-3-(4-propoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | C066-4659 |
| Compound Name: | 2-benzyl-1-oxo-3-(4-propoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C26 H25 N O4 |
| Smiles: | CCCOc1ccc(cc1)C1C(C(O)=O)c2ccccc2C(N1Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4381 |
| logD: | 1.7164 |
| logSw: | -4.2735 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.477 |
| InChI Key: | JWHWKKOEDVMVSR-UHFFFAOYSA-N |