2-[(3-methylthiophen-2-yl)methylidene]-6-[(4-nitrophenyl)methoxy]-1-benzofuran-3(2H)-one
Chemical Structure Depiction of
2-[(3-methylthiophen-2-yl)methylidene]-6-[(4-nitrophenyl)methoxy]-1-benzofuran-3(2H)-one
2-[(3-methylthiophen-2-yl)methylidene]-6-[(4-nitrophenyl)methoxy]-1-benzofuran-3(2H)-one
Compound characteristics
| Compound ID: | Y041-1154 |
| Compound Name: | 2-[(3-methylthiophen-2-yl)methylidene]-6-[(4-nitrophenyl)methoxy]-1-benzofuran-3(2H)-one |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H15 N O5 S |
| Smiles: | Cc1ccsc1/C=C1/C(c2ccc(cc2O1)OCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0563 |
| logD: | 5.0563 |
| logSw: | -4.9432 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.991 |
| InChI Key: | LNCNNTMCZHVRFT-UHFFFAOYSA-N |