7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4973-0058 |
| Compound Name: | 7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 417.43 |
| Molecular Formula: | C23 H22 F3 N O3 |
| Smiles: | CC1CCCCN1Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7837 |
| logD: | 3.6203 |
| logSw: | -4.3215 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.693 |
| InChI Key: | CTSZSOSUWPEOKL-AWEZNQCLSA-N |