ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3570-0714 |
| Compound Name: | ethyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate |
| Molecular Weight: | 397.26 |
| Molecular Formula: | C18 H21 Br O5 |
| Smiles: | CCOC(c1c2cc(c(cc2oc1C)[Br])OCC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6465 |
| logD: | 4.6465 |
| logSw: | -4.5815 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.772 |
| InChI Key: | LAFOYCZSZOMNAX-UHFFFAOYSA-N |