methyl N-[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-beta-alaninate
methyl N-[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y042-6075 |
| Compound Name: | methyl N-[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-beta-alaninate |
| Molecular Weight: | 332.35 |
| Molecular Formula: | C17 H20 N2 O5 |
| Smiles: | COCCN1C=C(C(NCCC(=O)OC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | -0.0946 |
| logD: | -0.0946 |
| logSw: | -2.1269 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.898 |
| InChI Key: | TZJMPQBLAAEADL-UHFFFAOYSA-N |