propyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
propyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
propyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1228 |
| Compound Name: | propyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C22 H23 N O6 |
| Smiles: | CCCOC(c1ccc(cc1)OC1=COc2c(ccc(c2CN(C)C)O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7979 |
| logD: | 3.2846 |
| logSw: | -3.6649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.737 |
| InChI Key: | XZCFSVULVVMKIJ-UHFFFAOYSA-N |