7-hydroxy-3-(2-methoxyphenyl)-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-hydroxy-3-(2-methoxyphenyl)-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
7-hydroxy-3-(2-methoxyphenyl)-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3230-2866 |
| Compound Name: | 7-hydroxy-3-(2-methoxyphenyl)-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C22 H20 F3 N O4 |
| Smiles: | COc1ccccc1C1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCCC2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.0588 |
| logD: | 2.7215 |
| logSw: | -3.9018 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.239 |
| InChI Key: | ZDQICKRKULYNGS-UHFFFAOYSA-N |