5-{[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-1-benzopyran-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-{[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-1-benzopyran-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
5-{[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-1-benzopyran-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 5595-0049 |
| Compound Name: | 5-{[2-(4-ethoxyphenyl)-4-(4-fluorophenyl)-4H-1-benzopyran-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H20 F N O3 S2 |
| Smiles: | CCOc1ccc(cc1)C1=C(/C=C2/C(NC(=S)S2)=O)C(c2ccc(cc2)F)c2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4564 |
| logD: | 3.1794 |
| logSw: | -5.5876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.645 |
| InChI Key: | PHAYKRVRSAYQGZ-DEOSSOPVSA-N |