3-(4-chlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-chlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5596-0335 |
| Compound Name: | 3-(4-chlorophenyl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C23 H21 Cl F3 N O3 |
| Smiles: | CC1CCCCN1Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccc(cc1)[Cl])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4835 |
| logD: | 4.3201 |
| logSw: | -5.6968 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.693 |
| InChI Key: | ALGQGMJUWTZGSX-ZDUSSCGKSA-N |