ethyl 2-(5-ethoxy-5-oxopentanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(5-ethoxy-5-oxopentanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(5-ethoxy-5-oxopentanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-7422 |
| Compound Name: | ethyl 2-(5-ethoxy-5-oxopentanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 367.46 |
| Molecular Formula: | C18 H25 N O5 S |
| Smiles: | CCOC(CCCC(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0073 |
| logD: | 0.6836 |
| logSw: | -3.2201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.015 |
| InChI Key: | RPOFNYLXYSEISC-UHFFFAOYSA-N |