4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C146-1281 |
| Compound Name: | 4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C20 H16 N4 O4 S3 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(c(c2)OC)OC(c2cccs2)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.93 |
| logD: | 4.25 |
| logSw: | -5.9 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 211.46 |
| InChI Key: | UFCNIZZZPHULTL-UHFFFAOYSA-N |