4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C277-0061 |
| Compound Name: | 4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC(C)C)=O)ccc1OC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.65 |
| logD: | 3.97 |
| logSw: | -5.27 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 211.79 |
| InChI Key: | SLEUCRAECZXWJA-UHFFFAOYSA-N |