ethyl 4-({7-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
ethyl 4-({7-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
ethyl 4-({7-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-4547 |
| Compound Name: | ethyl 4-({7-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C26 H29 N O6 |
| Smiles: | CCOC(c1ccc(cc1)OC1=C(C)Oc2c(ccc(c2CN2CCCCC2C)O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9613 |
| logD: | 3.7979 |
| logSw: | -4.1985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.832 |
| InChI Key: | XGORKVVNUHPGHE-INIZCTEOSA-N |