8-{[benzyl(ethyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[benzyl(ethyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[benzyl(ethyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5847-0225 |
| Compound Name: | 8-{[benzyl(ethyl)amino]methyl}-7-hydroxy-3-(2-methoxyphenyl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 483.49 |
| Molecular Formula: | C27 H24 F3 N O4 |
| Smiles: | CCN(Cc1ccccc1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.5239 |
| logD: | 5.1334 |
| logSw: | -5.2739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.577 |
| InChI Key: | HVSORPOVHSOBFS-UHFFFAOYSA-N |