2-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8009-1237 |
| Compound Name: | 2-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 439.23 |
| Molecular Formula: | C16 H10 I N O4 S |
| Smiles: | COc1c(cc(/C=C2/C(c3ccccc3S2)=O)cc1I)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5549 |
| logD: | 4.5549 |
| logSw: | -4.6124 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.197 |
| InChI Key: | FTFHGKOWBLHERV-UHFFFAOYSA-N |