{4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
Chemical Structure Depiction of
{4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
{4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
Compound characteristics
| Compound ID: | 4489-0328 |
| Compound Name: | {4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}acetonitrile |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C20 H16 N2 O3 S2 |
| Smiles: | COc1cc(\C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)ccc1OCC#N |
| Stereo: | ACHIRAL |
| logP: | 3.4688 |
| logD: | 3.4688 |
| logSw: | -3.787 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.069 |
| InChI Key: | BJUZZLYUPNVCIE-UHFFFAOYSA-N |