2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 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-methoxyphenyl 2-thiophenecarboxylate
2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C277-4759 |
| Compound Name: | 2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 537.43 |
| Molecular Formula: | C19 H13 Br N4 O4 S3 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OC(c1cccs1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2 |
| logD: | 4.53 |
| logSw: | -6.49 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 206.17 |
| InChI Key: | UFBNDXCVLMZVJA-UHFFFAOYSA-N |