methyl 2-[3-(3-bromo-4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(3-bromo-4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[3-(3-bromo-4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2712-4456 |
| Compound Name: | methyl 2-[3-(3-bromo-4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 450.35 |
| Molecular Formula: | C20 H20 Br N O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(/C=C/c1ccc(c(c1)[Br])OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0041 |
| logD: | 2.8277 |
| logSw: | -4.8676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.635 |
| InChI Key: | HGNGDZZTRDRANO-UHFFFAOYSA-N |