methyl 2-[2-(3,4-diethoxyphenyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3,4-diethoxyphenyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-(3,4-diethoxyphenyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-9148 |
| Compound Name: | methyl 2-[2-(3,4-diethoxyphenyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 417.52 |
| Molecular Formula: | C22 H27 N O5 S |
| Smiles: | CCOc1ccc(CC(Nc2c(C(=O)OC)c3CCCCc3s2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.729 |
| logD: | 0.9792 |
| logSw: | -4.2173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.425 |
| InChI Key: | DXSCMTXHKCOPDZ-UHFFFAOYSA-N |