2-[(4-methyl-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(4-methyl-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(4-methyl-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 3448-3425 |
| Compound Name: | 2-[(4-methyl-3-nitrophenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 297.33 |
| Molecular Formula: | C16 H11 N O3 S |
| Smiles: | Cc1ccc(/C=C2/C(c3ccccc3S2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2473 |
| logD: | 4.2473 |
| logSw: | -4.4916 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.48 |
| InChI Key: | VWWXFKXDQQCUKG-UHFFFAOYSA-N |