methyl 2-[2-(2,4-dibromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(2,4-dibromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(2,4-dibromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2279-1444 |
| Compound Name: | methyl 2-[2-(2,4-dibromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 503.21 |
| Molecular Formula: | C18 H17 Br2 N O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(COc1ccc(cc1[Br])[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0943 |
| logD: | 2.9124 |
| logSw: | -5.0409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.591 |
| InChI Key: | JTNIMWCLSBOEHE-UHFFFAOYSA-N |