ethyl 2-(3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamido)-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamido)-4,5-dimethylthiophene-3-carboxylate
ethyl 2-(3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamido)-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-8970 |
| Compound Name: | ethyl 2-(3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}prop-2-enamido)-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 544.46 |
| Molecular Formula: | C26 H26 Br N O5 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(/C=C/c1ccc(c(COc2ccc(cc2)[Br])c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7275 |
| logD: | 4.51 |
| logSw: | -5.831 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.522 |
| InChI Key: | XWHYRMNJUUFINX-UHFFFAOYSA-N |