ethyl 2-acetamido-6-bromo-7-[(2,5-dimethylphenyl)methoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-acetamido-6-bromo-7-[(2,5-dimethylphenyl)methoxy]-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-6-bromo-7-[(2,5-dimethylphenyl)methoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0487 |
| Compound Name: | ethyl 2-acetamido-6-bromo-7-[(2,5-dimethylphenyl)methoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C22 H22 Br N O4 S |
| Smiles: | CCOC(c1c2ccc(c(c2sc1NC(C)=O)OCc1cc(C)ccc1C)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9611 |
| logD: | 5.9507 |
| logSw: | -5.5136 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.178 |
| InChI Key: | BKPVZNGIWONWTK-UHFFFAOYSA-N |