methyl (1-{[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetyl}piperidin-4-yl)acetate
Chemical Structure Depiction of
methyl (1-{[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetyl}piperidin-4-yl)acetate
methyl (1-{[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetyl}piperidin-4-yl)acetate
Compound characteristics
| Compound ID: | Y041-6139 |
| Compound Name: | methyl (1-{[(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetyl}piperidin-4-yl)acetate |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C25 H25 N O7 |
| Smiles: | COC(CC1CCN(CC1)C(COc1cc(c2C(C=C(c3ccccc3)Oc2c1)=O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6807 |
| logD: | 3.6772 |
| logSw: | -4.1224 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.532 |
| InChI Key: | LAJRWNJAUJELHW-UHFFFAOYSA-N |