2-[1-(butylamino)ethylidene]-5-ethoxy-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[1-(butylamino)ethylidene]-5-ethoxy-1-benzothiophen-3(2H)-one
2-[1-(butylamino)ethylidene]-5-ethoxy-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | Y508-0526 |
| Compound Name: | 2-[1-(butylamino)ethylidene]-5-ethoxy-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 291.41 |
| Molecular Formula: | C16 H21 N O2 S |
| Smiles: | [H]N(CCCC)C(\C)=C1/C(c2cc(ccc2S1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.202 |
| logD: | 4.2018 |
| logSw: | -4.2259 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.18 |
| InChI Key: | CQFUQZBYDLOSQZ-UHFFFAOYSA-N |