ethyl 2-{2-[(2-methoxyethyl)sulfanyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(2-methoxyethyl)sulfanyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(2-methoxyethyl)sulfanyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y031-0229 |
| Compound Name: | ethyl 2-{2-[(2-methoxyethyl)sulfanyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C21 H25 N O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccccc1SCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 0.2943 |
| logSw: | -4.3606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.141 |
| InChI Key: | FNRJJOOBWHTOGG-UHFFFAOYSA-N |