3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl methanesulfonate
Chemical Structure Depiction of
3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl methanesulfonate
3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl methanesulfonate
Compound characteristics
| Compound ID: | IB03-5197 |
| Compound Name: | 3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]phenyl methanesulfonate |
| Molecular Weight: | 360.38 |
| Molecular Formula: | C18 H16 O6 S |
| Smiles: | CCOc1ccc2C(/C(=C/c3cccc(c3)OS(C)(=O)=O)Oc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.15 |
| logD: | 3.15 |
| logSw: | -3.5 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 151.01 |
| InChI Key: | BEYDVQZWZIYBHI-UHFFFAOYSA-N |