2-[2-(4-methoxyphenyl)ethyl]-1-oxo-N-(pyridin-4-yl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-[2-(4-methoxyphenyl)ethyl]-1-oxo-N-(pyridin-4-yl)-1,2-dihydroisoquinoline-4-carboxamide
2-[2-(4-methoxyphenyl)ethyl]-1-oxo-N-(pyridin-4-yl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5359 |
| Compound Name: | 2-[2-(4-methoxyphenyl)ethyl]-1-oxo-N-(pyridin-4-yl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C24 H21 N3 O3 |
| Smiles: | COc1ccc(CCN2C=C(C(Nc3ccncc3)=O)c3ccccc3C2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8592 |
| logD: | 2.7997 |
| logSw: | -3.4978 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.242 |
| InChI Key: | CPTJZTSGISFQOG-UHFFFAOYSA-N |