methyl {7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2559 |
| Compound Name: | methyl {7-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C25 H25 N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3046 |
| logD: | 3.3046 |
| logSw: | -3.5964 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.792 |
| InChI Key: | DPFCEBNQSNRFJW-UHFFFAOYSA-N |