2-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
2-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8009-2700 |
| Compound Name: | 2-{[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C21 H15 N O4 S |
| Smiles: | Cc1c(ccc(c1C)[N+]([O-])=O)c1ccc(/C=C2/C(c3ccccc3S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.7895 |
| logD: | 5.7895 |
| logSw: | -5.6198 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.05 |
| InChI Key: | MADREDXVUDKFKI-UHFFFAOYSA-N |