methyl N-(1-oxo-1,2-dihydroisoquinoline-4-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(1-oxo-1,2-dihydroisoquinoline-4-carbonyl)-beta-alaninate
methyl N-(1-oxo-1,2-dihydroisoquinoline-4-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-8852 |
| Compound Name: | methyl N-(1-oxo-1,2-dihydroisoquinoline-4-carbonyl)-beta-alaninate |
| Molecular Weight: | 274.27 |
| Molecular Formula: | C14 H14 N2 O4 |
| Smiles: | COC(CCNC(C1=CNC(c2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1148 |
| logD: | 0.1044 |
| logSw: | -2.07 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.839 |
| InChI Key: | TYBXWOMKNXZKHP-UHFFFAOYSA-N |