methyl 2-[2-(3-bromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3-bromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(3-bromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3232-0386 |
| Compound Name: | methyl 2-[2-(3-bromophenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 424.31 |
| Molecular Formula: | C18 H18 Br N O4 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(COc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5309 |
| logD: | 2.3491 |
| logSw: | -4.528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.504 |
| InChI Key: | MJMZBOLGCFQHEI-UHFFFAOYSA-N |