2-[(2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 3237-0088 |
| Compound Name: | 2-[(2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 299.3 |
| Molecular Formula: | C15 H9 N O4 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1cccc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7919 |
| logD: | 0.9813 |
| logSw: | -4.0372 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.96 |
| InChI Key: | RWEYFEARYCGCLM-UHFFFAOYSA-N |