ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Chemical Structure Depiction of
ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Compound characteristics
| Compound ID: | 4790-1383 |
| Compound Name: | ethyl 2-{[3-(2-bromophenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate |
| Molecular Weight: | 447.28 |
| Molecular Formula: | C21 H19 Br O6 |
| Smiles: | CCC(C(=O)OCC)Oc1ccc2C(C(=COc2c1)Oc1ccccc1[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7674 |
| logD: | 4.7674 |
| logSw: | -4.6034 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.082 |
| InChI Key: | ASSZKVAPTYGQRR-INIZCTEOSA-N |