methyl 3-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 3-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
methyl 3-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3033-2191 |
| Compound Name: | methyl 3-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 362.4 |
| Molecular Formula: | C21 H14 O4 S |
| Smiles: | COC(c1cccc(c1)c1ccc(/C=C2/C(c3ccccc3S2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1597 |
| logD: | 5.1597 |
| logSw: | -5.2162 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.144 |
| InChI Key: | XOXUDDMFGQEKSP-UHFFFAOYSA-N |