3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6649-0955 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C25 H26 F3 N O4 |
| Smiles: | CC1CCCN(C1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1cc(C)cc(C)c1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7472 |
| logD: | 4.8354 |
| logSw: | -5.2329 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.513 |
| InChI Key: | WIRICJGDVHQDQE-AWEZNQCLSA-N |