4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C356-0758 |
| Compound Name: | 4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl 2-furoate |
| Molecular Weight: | 502.52 |
| Molecular Formula: | C21 H18 N4 O7 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)ccc1OC(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.95 |
| logD: | 0.6 |
| logSw: | -3.88 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 249.66 |
| InChI Key: | UDBGIHPWYWSUGF-UHFFFAOYSA-N |