2-({2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
Chemical Structure Depiction of
2-({2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
2-({2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | 3229-1613 |
| Compound Name: | 2-({2-ethoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C20 H16 N2 O3 S2 |
| Smiles: | CCOc1cc(\C=C2/C(NC(=S)S2)=O)ccc1OCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 2.5421 |
| logD: | 1.191 |
| logSw: | -3.138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.481 |
| InChI Key: | NHKMQFLEZCXGSG-UHFFFAOYSA-N |