3-{[(2,5-dimethoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
Chemical Structure Depiction of
3-{[(2,5-dimethoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
3-{[(2,5-dimethoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
Compound characteristics
| Compound ID: | C301-6195 |
| Compound Name: | 3-{[(2,5-dimethoxyphenyl)methyl]amino}-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C25 H20 F3 N O3 |
| Smiles: | COc1ccc(c(CNC2=C(C(c3ccccc23)=O)c2ccc(cc2)C(F)(F)F)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.5207 |
| logD: | 5.5206 |
| logSw: | -5.5232 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.008 |
| InChI Key: | WQYSNAYMDLKYEU-UHFFFAOYSA-N |