ethyl 2-{2-[(2H-1,3-benzodioxol-5-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(2H-1,3-benzodioxol-5-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(2H-1,3-benzodioxol-5-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-3799 |
| Compound Name: | ethyl 2-{2-[(2H-1,3-benzodioxol-5-yl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 403.45 |
| Molecular Formula: | C20 H21 N O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(COc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8827 |
| logD: | 1.7009 |
| logSw: | -4.2108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.199 |
| InChI Key: | GWWOHMMZMMPNCA-UHFFFAOYSA-N |