methyl 2-acetamido-6-bromo-7-[2-(4-fluoroanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-[2-(4-fluoroanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-[2-(4-fluoroanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0717 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-[2-(4-fluoroanilino)-2-oxoethoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 495.32 |
| Molecular Formula: | C20 H16 Br F N2 O5 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCC(Nc1ccc(cc1)F)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0429 |
| logD: | 4.0325 |
| logSw: | -4.5162 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.747 |
| InChI Key: | AZMGWKCPNUZGOS-UHFFFAOYSA-N |