3-(2-bromophenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(2-bromophenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4300-0180 |
| Compound Name: | 3-(2-bromophenoxy)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 484.27 |
| Molecular Formula: | C21 H17 Br F3 N O4 |
| Smiles: | C1CCN(C1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccccc1[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.8405 |
| logD: | 3.5032 |
| logSw: | -4.4921 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.032 |
| InChI Key: | LTMIYMAXHPKSLK-UHFFFAOYSA-N |