3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-fluorobenzoate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-fluorobenzoate
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 4358-0815 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-fluorobenzoate |
| Molecular Weight: | 488.39 |
| Molecular Formula: | C25 H16 F4 O6 |
| Smiles: | COc1ccc(cc1OC)C1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8723 |
| logD: | 4.8723 |
| logSw: | -4.7572 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.916 |
| InChI Key: | SYMPNGPIQHLGPU-UHFFFAOYSA-N |