8-{[benzyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[benzyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[benzyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5847-0232 |
| Compound Name: | 8-{[benzyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C28 H26 F3 N O4 |
| Smiles: | CCc1ccc(cc1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN(CC)Cc2ccccc2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 6.718 |
| logD: | 6.3275 |
| logSw: | -5.5769 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.284 |
| InChI Key: | KDHNBSFVRHNXBT-UHFFFAOYSA-N |