4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C146-0710 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C20 H16 N4 O4 S3 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.67 |
| logD: | 4 |
| logSw: | -5.28 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 207.02 |
| InChI Key: | DYOOWJPRUCTKHJ-UHFFFAOYSA-N |