3-(2-ethoxyphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-ethoxyphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(2-ethoxyphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1186 |
| Compound Name: | 3-(2-ethoxyphenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C23 H22 F3 N O5 |
| Smiles: | CCOc1ccccc1OC1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCCC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.627 |
| logD: | 3.2898 |
| logSw: | -4.1339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.243 |
| InChI Key: | JJIRJVSUANUCTC-UHFFFAOYSA-N |