N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1557 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Smiles: | COc1ccc(cc1)N1C=C(C(NCCN2CCc3ccccc3C2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.2226 |
| logD: | 2.6551 |
| logSw: | -3.6351 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.197 |
| InChI Key: | PVWZMNCVUJAQSS-UHFFFAOYSA-N |