2-[(2-hydroxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2-hydroxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(2-hydroxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 2729-0001 |
| Compound Name: | 2-[(2-hydroxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 299.3 |
| Molecular Formula: | C15 H9 N O4 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)/c1cc(ccc1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7344 |
| logD: | 0.9528 |
| logSw: | -3.6519 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.329 |
| InChI Key: | PENIBPKELSMGQC-UHFFFAOYSA-N |