ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1178 |
| Compound Name: | ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 451.4 |
| Molecular Formula: | C22 H20 F3 N O6 |
| Smiles: | CCOC(c1ccc(cc1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN(C)C)O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2715 |
| logD: | 3.4948 |
| logSw: | -3.9875 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.488 |
| InChI Key: | SNOWNHBSHLINQR-UHFFFAOYSA-N |