2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8008-6614 |
| Compound Name: | 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 378.2 |
| Molecular Formula: | C15 H8 Br N O4 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1cc(cc(c1O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8461 |
| logD: | 1.7376 |
| logSw: | -4.5997 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.96 |
| InChI Key: | FPHJFSFYBNFBIG-UHFFFAOYSA-N |