2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 1690-0100 |
| Compound Name: | 2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C17 H13 N O5 S |
| Smiles: | COc1cc(c(cc1/C=C1/C(c2ccccc2S1)=O)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9687 |
| logD: | 3.9687 |
| logSw: | -4.2383 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.741 |
| InChI Key: | ZEDSNFHLRHEPRQ-UHFFFAOYSA-N |