methyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
methyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1181 |
| Compound Name: | methyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C24 H26 N2 O6 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=COc12)Oc1ccc(cc1)C(=O)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.9588 |
| logD: | 2.0271 |
| logSw: | -3.1596 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.245 |
| InChI Key: | SYDXQZYBZMFBLX-UHFFFAOYSA-N |