methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-3244 |
| Compound Name: | methyl 2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 458.76 |
| Molecular Formula: | C18 H17 Br Cl N O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(COc1ccc(cc1[Br])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9977 |
| logD: | 2.8158 |
| logSw: | -5.249 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.591 |
| InChI Key: | AHYZLMVZSPMJIU-UHFFFAOYSA-N |