3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3931-2325 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate |
| Molecular Weight: | 534.29 |
| Molecular Formula: | C24 H15 Br F3 N O5 |
| Smiles: | Cc1cc(C)cc(c1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(c1cc(cnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7831 |
| logD: | 5.7831 |
| logSw: | -5.3896 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.6 |
| InChI Key: | XCWFPCJYLQNWKG-UHFFFAOYSA-N |