ethyl 3-[5-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
ethyl 3-[5-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
ethyl 3-[5-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | C277-5050 |
| Compound Name: | ethyl 3-[5-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C20 H16 N4 O4 S2 |
| Smiles: | CCOC(c1cccc(c1)c1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.15 |
| logD: | 4.46 |
| logSw: | -5.86 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.82 |
| InChI Key: | PTPZEKNTGYJYDE-UHFFFAOYSA-N |