2-({2-bromo-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
Chemical Structure Depiction of
2-({2-bromo-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
2-({2-bromo-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | 4299-0304 |
| Compound Name: | 2-({2-bromo-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy}methyl)benzonitrile |
| Molecular Weight: | 431.33 |
| Molecular Formula: | C18 H11 Br N2 O2 S2 |
| Smiles: | C(c1ccccc1C#N)Oc1ccc(/C=C2/C(NC(=S)S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1738 |
| logD: | 1.8226 |
| logSw: | -3.6404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.271 |
| InChI Key: | CSEJUXAYIHUUCJ-UHFFFAOYSA-N |