4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | C354-0243 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C15 H14 N4 O5 S3 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)ccc1OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.53 |
| logD: | 1.85 |
| logSw: | -3.89 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 265.95 |
| InChI Key: | FCXCYZDLMKTTOJ-UHFFFAOYSA-N |