2-{[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
2-{[5-(2,4-dimethyl-5-nitrophenyl)furan-2-yl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8001-5461 |
| Compound Name: | 2-{[5-(2,4-dimethyl-5-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(cc1c1ccc(/C=C2/C(c3ccccc3S2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0216 |
| logD: | 6.0216 |
| logSw: | -5.5407 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.05 |
| InChI Key: | XDGFECPBTPOFNN-UHFFFAOYSA-N |