4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
Chemical Structure Depiction of
4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
Compound characteristics
| Compound ID: | 4340-2133 |
| Compound Name: | 4-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate |
| Molecular Weight: | 487.32 |
| Molecular Formula: | C22 H15 Br O6 S |
| Smiles: | COc1ccc(cc1)c1c(ccc2c1SC(=O)O2)OC(COc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9938 |
| logD: | 4.9938 |
| logSw: | -4.9057 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.951 |
| InChI Key: | ZWXGYYYYBDYDBF-UHFFFAOYSA-N |