methyl 2-[2-(2-bromo-4-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2-bromo-4-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(2-bromo-4-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4561-0776 |
| Compound Name: | methyl 2-[2-(2-bromo-4-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 438.34 |
| Molecular Formula: | C19 H20 Br N O4 S |
| Smiles: | Cc1ccc(c(c1)[Br])OCC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7838 |
| logD: | 2.602 |
| logSw: | -4.7835 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.591 |
| InChI Key: | FFAMERWEHBHALE-UHFFFAOYSA-N |