methyl 2-[2-(2,4-dibromophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2,4-dibromophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(2,4-dibromophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2798-0844 |
| Compound Name: | methyl 2-[2-(2,4-dibromophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 517.23 |
| Molecular Formula: | C19 H19 Br2 N O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(COc3ccc(cc3[Br])[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5282 |
| logD: | 3.3464 |
| logSw: | -5.5887 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.591 |
| InChI Key: | YJTAGKKINLWZMD-SNVBAGLBSA-N |