3-(4-tert-butylphenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-tert-butylphenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-tert-butylphenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5847-0312 |
| Compound Name: | 3-(4-tert-butylphenoxy)-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C27 H30 F3 N O4 |
| Smiles: | CC1CCCN(C1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(cc1)C(C)(C)C)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.759 |
| logD: | 5.8472 |
| logSw: | -5.5104 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.513 |
| InChI Key: | HLJGASGSGIVPEH-INIZCTEOSA-N |