methyl 2-acetamido-7-[2-(benzylamino)-2-oxoethoxy]-6-bromo-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-7-[2-(benzylamino)-2-oxoethoxy]-6-bromo-1-benzothiophene-3-carboxylate
methyl 2-acetamido-7-[2-(benzylamino)-2-oxoethoxy]-6-bromo-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0748 |
| Compound Name: | methyl 2-acetamido-7-[2-(benzylamino)-2-oxoethoxy]-6-bromo-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 491.36 |
| Molecular Formula: | C21 H19 Br N2 O5 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCC(NCc1ccccc1)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5373 |
| logD: | 3.5268 |
| logSw: | -3.9807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.069 |
| InChI Key: | UJHSXUDBJCOARA-UHFFFAOYSA-N |