5-ethoxy-2-[(pentylamino)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
5-ethoxy-2-[(pentylamino)methylidene]-1-benzothiophen-3(2H)-one
5-ethoxy-2-[(pentylamino)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 2104-0100 |
| Compound Name: | 5-ethoxy-2-[(pentylamino)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 291.41 |
| Molecular Formula: | C16 H21 N O2 S |
| Smiles: | CCCCCN\C=C1/C(c2cc(ccc2S1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0196 |
| logD: | 4.019 |
| logSw: | -4.0262 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.769 |
| InChI Key: | HPLKOXVCIXDTNJ-UHFFFAOYSA-N |