N-(5-chloro-2-methoxyphenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Compound characteristics
| Compound ID: | G856-9386 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide |
| Molecular Weight: | 398.84 |
| Molecular Formula: | C21 H19 Cl N2 O4 |
| Smiles: | COc1ccc(cc1NC(COc1cccc2C(N(CC=C)C=Cc12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1409 |
| logD: | 3.1368 |
| logSw: | -3.6206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.327 |
| InChI Key: | GHQNOADWTOTJFX-UHFFFAOYSA-N |