N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-2-oxo-2H-1-benzopyran-3-carboxamide
N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G500-0868 |
| Compound Name: | N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C29 H29 N3 O3 |
| Smiles: | CN(C)c1ccc(cc1)C(CNC(C1=Cc2ccccc2OC1=O)=O)N1CCc2ccccc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3196 |
| logD: | 4.2508 |
| logSw: | -4.3448 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.029 |
| InChI Key: | NECQDSCACFRYEW-SANMLTNESA-N |