methyl N-{2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carbonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carbonyl}-beta-alaninate
methyl N-{2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carbonyl}-beta-alaninate
Compound characteristics
Compound ID: | Y042-5873 |
Compound Name: | methyl N-{2-[2-(4-methoxyphenyl)ethyl]-1-oxo-1,2-dihydroisoquinoline-4-carbonyl}-beta-alaninate |
Molecular Weight: | 408.45 |
Molecular Formula: | C23 H24 N2 O5 |
Smiles: | COC(CCNC(C1=CN(CCc2ccc(cc2)OC)C(c2ccccc12)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.7828 |
logD: | 1.7828 |
logSw: | -2.4382 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.828 |
InChI Key: | HUBDUTVURWRARI-UHFFFAOYSA-N |