methyl 2-acetamido-6-bromo-7-[(2-cyanophenyl)methoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-[(2-cyanophenyl)methoxy]-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-[(2-cyanophenyl)methoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0684 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-[(2-cyanophenyl)methoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C20 H15 Br N2 O4 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCc1ccccc1C#N)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1529 |
| logD: | 4.1424 |
| logSw: | -4.5061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.654 |
| InChI Key: | UWNZPQWXQXJJQB-UHFFFAOYSA-N |