8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6647-2051 |
| Compound Name: | 8-{[benzyl(ethyl)amino]methyl}-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C28 H26 F3 N O4 |
| Smiles: | CCN(Cc1ccccc1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1cc(C)ccc1C)=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.6456 |
| logD: | 6.2551 |
| logSw: | -5.5073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.37 |
| InChI Key: | AEMXFGUCIBWUCX-UHFFFAOYSA-N |