3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl pyridine-4-carboxylate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl pyridine-4-carboxylate
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl pyridine-4-carboxylate
Compound characteristics
| Compound ID: | 4300-0313 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl pyridine-4-carboxylate |
| Molecular Weight: | 471.39 |
| Molecular Formula: | C24 H16 F3 N O6 |
| Smiles: | COc1ccc(cc1OC)C1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(c1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5942 |
| logD: | 3.5942 |
| logSw: | -3.7809 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.345 |
| InChI Key: | QGWRDARRLVJABS-UHFFFAOYSA-N |