ethyl 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
ethyl 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0177 |
| Compound Name: | ethyl 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 410.87 |
| Molecular Formula: | C22 H15 Cl O4 S |
| Smiles: | CCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(c3ccccc3S2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.325 |
| logD: | 6.325 |
| logSw: | -6.1305 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.723 |
| InChI Key: | KPRUDIUEEFWLGJ-UHFFFAOYSA-N |