{2-methoxy-4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetonitrile
Chemical Structure Depiction of
{2-methoxy-4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetonitrile
{2-methoxy-4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetonitrile
Compound characteristics
| Compound ID: | 2144-0920 |
| Compound Name: | {2-methoxy-4-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetonitrile |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C18 H13 N O3 S |
| Smiles: | COc1cc(/C=C2/C(c3ccccc3S2)=O)ccc1OCC#N |
| Stereo: | ACHIRAL |
| logP: | 2.9698 |
| logD: | 2.9698 |
| logSw: | -3.485 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.027 |
| InChI Key: | CGJQVAVZRVZKJZ-UHFFFAOYSA-N |