ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-2811 |
| Compound Name: | ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H21 N O6 |
| Smiles: | CCOC(c1ccc(cc1)OC1=COc2c(ccc(c2CN(C)C)O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2861 |
| logD: | 2.7729 |
| logSw: | -3.3634 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.443 |
| InChI Key: | XYJKGZIJDWLKDE-UHFFFAOYSA-N |