2-{[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
2-{[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8001-5459 |
| Compound Name: | 2-{[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C21 H15 N O4 S |
| Smiles: | Cc1cc(c(C)c(c1)[N+]([O-])=O)c1ccc(\C=C2/C(c3ccccc3S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6222 |
| logD: | 5.6222 |
| logSw: | -5.5254 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.05 |
| InChI Key: | ZHXJJMYTUNIQPF-UHFFFAOYSA-N |