methyl {4-methyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4-methyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {4-methyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-2570 |
| Compound Name: | methyl {4-methyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C21 H25 N O6 |
| Smiles: | CC1CCN(CC1)C(COc1ccc2C(C)=C(CC(=O)OC)C(=O)Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1022 |
| logD: | 2.1022 |
| logSw: | -2.9764 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.359 |
| InChI Key: | ATUXREBUEYMDPB-UHFFFAOYSA-N |