methyl N-(2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carbonyl)-beta-alaninate
methyl N-(2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y042-5870 |
| Compound Name: | methyl N-(2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carbonyl)-beta-alaninate |
| Molecular Weight: | 288.3 |
| Molecular Formula: | C15 H16 N2 O4 |
| Smiles: | CN1C=C(C(NCCC(=O)OC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | -0.2907 |
| logD: | -0.2907 |
| logSw: | -2.0835 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.292 |
| InChI Key: | FITCLMRXAUFKHM-UHFFFAOYSA-N |