ethyl 2-[2-(2-bromo-4-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(2-bromo-4-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(2-bromo-4-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2279-5086 |
| Compound Name: | ethyl 2-[2-(2-bromo-4-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)cc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1661 |
| logD: | 2.9843 |
| logSw: | -5.0995 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.171 |
| InChI Key: | PXTJBEQZOGLUGY-UHFFFAOYSA-N |