methyl 2-acetamido-6-bromo-7-[(4-ethenylphenyl)methoxy]-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-acetamido-6-bromo-7-[(4-ethenylphenyl)methoxy]-1-benzothiophene-3-carboxylate
methyl 2-acetamido-6-bromo-7-[(4-ethenylphenyl)methoxy]-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L068-0690 |
| Compound Name: | methyl 2-acetamido-6-bromo-7-[(4-ethenylphenyl)methoxy]-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 460.34 |
| Molecular Formula: | C21 H18 Br N O4 S |
| Smiles: | CC(Nc1c(C(=O)OC)c2ccc(c(c2s1)OCc1ccc(C=C)cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1572 |
| logD: | 5.1468 |
| logSw: | -5.4174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.598 |
| InChI Key: | CTBPVXNJUWKNDF-UHFFFAOYSA-N |