methyl 2-acetamido-6-bromo-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0739 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 493.37 |
| Molecular Formula: | C21 H21 Br N2 O5 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCc1c(C)c(c(C)cn1)OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2608 |
| logD: | 4.2492 |
| logSw: | -4.4846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.718 |
| InChI Key: | ZQMXLKMBRUZWCD-UHFFFAOYSA-N |