3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
Chemical Structure Depiction of
3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3931-2319 |
| Compound Name: | 3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate |
| Molecular Weight: | 520.26 |
| Molecular Formula: | C23 H13 Br F3 N O5 |
| Smiles: | Cc1cccc(c1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(c1cc(cnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4057 |
| logD: | 5.4057 |
| logSw: | -5.2871 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.6 |
| InChI Key: | URMWAMQNHWDIRZ-UHFFFAOYSA-N |