3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
Chemical Structure Depiction of
3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3931-2327 |
| Compound Name: | 3-(3-methylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C22 H14 Br N O5 |
| Smiles: | Cc1cccc(c1)OC1=COc2cc(ccc2C1=O)OC(c1cc(cnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3443 |
| logD: | 4.3443 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.555 |
| InChI Key: | LLSXYFJOCGQBQY-UHFFFAOYSA-N |