2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 1690-0098 |
| Compound Name: | 2-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C20 H13 N O5 S |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C2/C(c3ccccc3S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.1377 |
| logD: | 5.1377 |
| logSw: | -5.0651 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.594 |
| InChI Key: | SACRILLVUKWISK-UHFFFAOYSA-N |