N-(3-chloro-4-methylphenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
N-(3-chloro-4-methylphenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Compound characteristics
| Compound ID: | G856-9385 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide |
| Molecular Weight: | 382.85 |
| Molecular Formula: | C21 H19 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1[Cl])NC(COc1cccc2C(N(CC=C)C=Cc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2782 |
| logD: | 4.278 |
| logSw: | -4.4866 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.395 |
| InChI Key: | YWNSYEAGKVVSPK-UHFFFAOYSA-N |