3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6197-0124 |
| Compound Name: | 3-(4-chloro-3,5-dimethylphenoxy)-7-hydroxy-8-[(4-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 495.93 |
| Molecular Formula: | C25 H25 Cl F3 N O4 |
| Smiles: | CC1CCN(CC1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1cc(C)c(c(C)c1)[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.6234 |
| logD: | 5.8079 |
| logSw: | -5.8896 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.58 |
| InChI Key: | YPTCMRFQMAJHPA-UHFFFAOYSA-N |