ethyl 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | 2595-1213 |
Compound Name: | ethyl 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 452.37 |
Molecular Formula: | C20 H22 Br N O4 S |
Smiles: | CCOC(c1c2CCCCc2sc1NC(COc1ccc(c(C)c1)[Br])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.3705 |
logD: | 3.1886 |
logSw: | -5.4101 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.084 |
InChI Key: | ZGBQKLUVAWECJN-UHFFFAOYSA-N |