ethyl 2-acetamido-6-bromo-7-[(2-cyanophenyl)methoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-acetamido-6-bromo-7-[(2-cyanophenyl)methoxy]-1-benzothiophene-3-carboxylate
ethyl 2-acetamido-6-bromo-7-[(2-cyanophenyl)methoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0496 |
| Compound Name: | ethyl 2-acetamido-6-bromo-7-[(2-cyanophenyl)methoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 473.34 |
| Molecular Formula: | C21 H17 Br N2 O4 S |
| Smiles: | CCOC(c1c2ccc(c(c2sc1NC(C)=O)OCc1ccccc1C#N)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5352 |
| logD: | 4.5247 |
| logSw: | -4.4812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.234 |
| InChI Key: | VKIJAZRUUOCWDH-UHFFFAOYSA-N |