ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1185 |
| Compound Name: | ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 520.51 |
| Molecular Formula: | C26 H27 F3 N2 O6 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(cc1)C(=O)OCC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.4549 |
| logD: | 3.5232 |
| logSw: | -3.9446 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.87 |
| InChI Key: | DKRQGUYPSANRGE-UHFFFAOYSA-N |