2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C146-0815 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate |
| Molecular Weight: | 462.95 |
| Molecular Formula: | C18 H11 Cl N4 O3 S3 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2cccs2)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.11 |
| logD: | 4.44 |
| logSw: | -6.27 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 194.11 |
| InChI Key: | JWHGNDOCTNZOCZ-UHFFFAOYSA-N |