2-({2-ethoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
Chemical Structure Depiction of
2-({2-ethoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
2-({2-ethoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | 3584-0424 |
| Compound Name: | 2-({2-ethoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile |
| Molecular Weight: | 410.51 |
| Molecular Formula: | C21 H18 N2 O3 S2 |
| Smiles: | CCOc1cc(\C=C2/C(N(C)C(=S)S2)=O)ccc1OCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.3486 |
| logD: | 3.3486 |
| logSw: | -3.6335 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.06 |
| InChI Key: | YVCIGSSUXLZKMG-UHFFFAOYSA-N |