2-[2-(4-methoxyphenyl)ethyl]-N-[(oxan-4-yl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-[2-(4-methoxyphenyl)ethyl]-N-[(oxan-4-yl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-[2-(4-methoxyphenyl)ethyl]-N-[(oxan-4-yl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y041-5648 |
| Compound Name: | 2-[2-(4-methoxyphenyl)ethyl]-N-[(oxan-4-yl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | COc1ccc(CCN2C=C(C(NCC3CCOCC3)=O)c3ccccc3C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7455 |
| logD: | 2.7455 |
| logSw: | -3.4413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.236 |
| InChI Key: | MCXPOVBHSDHVPA-UHFFFAOYSA-N |