5-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
Chemical Structure Depiction of
5-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
5-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
Compound characteristics
| Compound ID: | FF20-3076 |
| Compound Name: | 5-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid |
| Molecular Weight: | 254.3 |
| Molecular Formula: | C12 H14 O4 S |
| Smiles: | CCOC(C1CCc2c(C1)cc(C(O)=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4472 |
| logD: | -0.1639 |
| logSw: | -2.3133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.339 |
| InChI Key: | QQTXHIJVPKDGIS-SSDOTTSWSA-N |