2-[(4-chloroanilino)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(4-chloroanilino)methylidene]-1-benzothiophen-3(2H)-one
2-[(4-chloroanilino)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 3237-0003 |
| Compound Name: | 2-[(4-chloroanilino)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 287.77 |
| Molecular Formula: | C15 H10 Cl N O S |
| Smiles: | [H]N(\C=C1/C(c2ccccc2S1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.302 |
| logD: | 4.3019 |
| logSw: | -4.7542 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.0008 |
| InChI Key: | KIXVDIYOZGTDPI-UHFFFAOYSA-N |