8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(naphthalen-1-yl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(naphthalen-1-yl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(naphthalen-1-yl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3793-3217 |
| Compound Name: | 8-{[benzyl(methyl)amino]methyl}-7-hydroxy-3-(naphthalen-1-yl)-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 489.49 |
| Molecular Formula: | C29 H22 F3 N O3 |
| Smiles: | CN(Cc1ccccc1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1cccc2ccccc12)=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.267 |
| logD: | 5.935 |
| logSw: | -6.4758 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.083 |
| InChI Key: | DMMQWCNMZXFFHE-UHFFFAOYSA-N |