methyl N-[2-(2,5-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[2-(2,5-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-beta-alaninate
methyl N-[2-(2,5-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y042-5868 |
| Compound Name: | methyl N-[2-(2,5-dimethoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyl]-beta-alaninate |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C22 H22 N2 O6 |
| Smiles: | COC(CCNC(C1=CN(C(c2ccccc12)=O)c1cc(ccc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.489 |
| logD: | 1.489 |
| logSw: | -2.3133 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.733 |
| InChI Key: | DJWARJUNFDJLBY-UHFFFAOYSA-N |