4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2,6-dimethoxyphenyl acetate
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | C146-0673 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C17 H16 N4 O5 S2 |
| Smiles: | CC(=O)Oc1c(cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.97 |
| logD: | 2.29 |
| logSw: | -3.6 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 228.1 |
| InChI Key: | JMVOESZBOLTZAI-UHFFFAOYSA-N |