2-[1-(3-bromoanilino)ethylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[1-(3-bromoanilino)ethylidene]-1-benzothiophen-3(2H)-one
2-[1-(3-bromoanilino)ethylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 3237-0122 |
| Compound Name: | 2-[1-(3-bromoanilino)ethylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 346.24 |
| Molecular Formula: | C16 H12 Br N O S |
| Smiles: | C/C(=C1/C(c2ccccc2S1)=O)Nc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.7204 |
| logD: | 4.7204 |
| logSw: | -4.6172 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.6212 |
| InChI Key: | KHTSANYAQYHGBZ-UHFFFAOYSA-N |