methyl 2-acetamido-6-bromo-7-[2-(2,5-difluoroanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-[2-(2,5-difluoroanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-[2-(2,5-difluoroanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0765 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-[2-(2,5-difluoroanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 513.31 |
| Molecular Formula: | C20 H15 Br F2 N2 O5 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCC(Nc1cc(ccc1F)F)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1811 |
| logD: | 4.1677 |
| logSw: | -4.5959 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.049 |
| InChI Key: | JLZZZXGLRAGVSC-UHFFFAOYSA-N |