3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
Chemical Structure Depiction of
3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3931-2329 |
| Compound Name: | 3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl 5-bromopyridine-3-carboxylate |
| Molecular Weight: | 494.34 |
| Molecular Formula: | C25 H20 Br N O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=COc2cc(ccc2C1=O)OC(c1cc(cnc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7335 |
| logD: | 5.7335 |
| logSw: | -5.2994 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.555 |
| InChI Key: | HTWLVKMSLOTZGD-UHFFFAOYSA-N |