2-bromo-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-furoate
Chemical Structure Depiction of
2-bromo-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-furoate
2-bromo-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C277-5800 |
| Compound Name: | 2-bromo-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-furoate |
| Molecular Weight: | 549.42 |
| Molecular Formula: | C21 H17 Br N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SCC)=O)cc(c1OC(c1ccco1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.05 |
| logD: | 4.38 |
| logSw: | -5.96 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.17 |
| InChI Key: | OKKMGUKARKAYMA-UHFFFAOYSA-N |