4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C355-0340 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C20 H16 N4 O6 S3 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)ccc1OC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.01 |
| logD: | 0.65 |
| logSw: | -4.05 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 237.65 |
| InChI Key: | QSMCEXHMPKMCGR-UHFFFAOYSA-N |