methyl N-{2-[(4-methoxyphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carbonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{2-[(4-methoxyphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carbonyl}-beta-alaninate
methyl N-{2-[(4-methoxyphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | Y042-5874 |
| Compound Name: | methyl N-{2-[(4-methoxyphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carbonyl}-beta-alaninate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | COC(CCNC(C1=CN(Cc2ccc(cc2)OC)C(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3139 |
| logD: | 1.3139 |
| logSw: | -2.3656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.849 |
| InChI Key: | GEOAEHWMDUMKAF-UHFFFAOYSA-N |