2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 8001-7421 |
| Compound Name: | 2-chloro-5-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 382.82 |
| Molecular Formula: | C20 H11 Cl O4 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.4365 |
| logD: | 1.0062 |
| logSw: | -5.5474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.378 |
| InChI Key: | ZPWFYRKGVDZJMU-UHFFFAOYSA-N |