{2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetonitrile
Chemical Structure Depiction of
{2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetonitrile
{2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetonitrile
Compound characteristics
| Compound ID: | 1542-0035 |
| Compound Name: | {2-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}acetonitrile |
| Molecular Weight: | 293.34 |
| Molecular Formula: | C17 H11 N O2 S |
| Smiles: | C(C#N)Oc1ccccc1\C=C1/C(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6692 |
| logD: | 3.6692 |
| logSw: | -4.167 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.396 |
| InChI Key: | LWPQMDATJLNFRS-UHFFFAOYSA-N |