ethyl 2-acetamido-7-[2-(azepan-1-yl)-2-oxoethoxy]-6-methyl-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-acetamido-7-[2-(azepan-1-yl)-2-oxoethoxy]-6-methyl-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-7-[2-(azepan-1-yl)-2-oxoethoxy]-6-methyl-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0244 |
| Compound Name: | ethyl 2-acetamido-7-[2-(azepan-1-yl)-2-oxoethoxy]-6-methyl-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C22 H28 N2 O5 S |
| Smiles: | CCOC(c1c2ccc(C)c(c2sc1NC(C)=O)OCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5622 |
| logD: | 3.5551 |
| logSw: | -3.9018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.901 |
| InChI Key: | LVEVNKMPXMVQJH-UHFFFAOYSA-N |