ethyl 6-bromo-7-[(2-cyanophenyl)methoxy]-2-propanamido-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-bromo-7-[(2-cyanophenyl)methoxy]-2-propanamido-1-benzothiophene-3-carboxylate
ethyl 6-bromo-7-[(2-cyanophenyl)methoxy]-2-propanamido-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0198 |
| Compound Name: | ethyl 6-bromo-7-[(2-cyanophenyl)methoxy]-2-propanamido-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C22 H19 Br N2 O4 S |
| Smiles: | CCC(Nc1c(C(=O)OCC)c2ccc(c(c2s1)OCc1ccccc1C#N)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0374 |
| logD: | 5.0189 |
| logSw: | -4.8508 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.121 |
| InChI Key: | IWTBVRUNDIXANV-UHFFFAOYSA-N |