N-{2-[benzyl(methyl)amino]ethyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{2-[benzyl(methyl)amino]ethyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1570 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C27 H27 N3 O3 |
| Smiles: | CN(CCNC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)OC)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7985 |
| logD: | 1.9879 |
| logSw: | -3.5554 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.647 |
| InChI Key: | VKJOEIQLPQISKT-UHFFFAOYSA-N |