8-{[benzyl(methyl)amino]methyl}-3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[benzyl(methyl)amino]methyl}-3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[benzyl(methyl)amino]methyl}-3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3453-0774 |
| Compound Name: | 8-{[benzyl(methyl)amino]methyl}-3-(2-bromophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 534.33 |
| Molecular Formula: | C25 H19 Br F3 N O4 |
| Smiles: | CN(Cc1ccccc1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccccc1[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.9114 |
| logD: | 5.5795 |
| logSw: | -5.4914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.778 |
| InChI Key: | GALWGXXDZJDEHQ-UHFFFAOYSA-N |