3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | 4300-0156 |
| Compound Name: | 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 420.38 |
| Molecular Formula: | C22 H19 F3 O5 |
| Smiles: | CC(C)(C)C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0172 |
| logD: | 5.0172 |
| logSw: | -4.9278 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.557 |
| InChI Key: | JKBUOMVOXSHNLU-UHFFFAOYSA-N |