2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-thiophenecarboxylate
2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C277-4789 |
| Compound Name: | 2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 551.46 |
| Molecular Formula: | C20 H15 Br N4 O4 S3 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OC(c1cccs1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.48 |
| logD: | 4.81 |
| logSw: | -6.57 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.55 |
| InChI Key: | SNSVQFCDDXGPJN-UHFFFAOYSA-N |