2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8003-0098 |
| Compound Name: | 2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 344.3 |
| Molecular Formula: | C15 H8 N2 O6 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.85 |
| logD: | -1.9131 |
| logSw: | -4.0188 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.341 |
| InChI Key: | XWMTZTCOGLBDPZ-UHFFFAOYSA-N |