2-chloro-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
2-chloro-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C277-5754 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 507.01 |
| Molecular Formula: | C20 H15 Cl N4 O4 S3 |
| Smiles: | CCSc1nc(NC(C(=C/c2cc(c(c(c2)[Cl])OC(c2cccs2)=O)OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.97 |
| logD: | 5.29 |
| logSw: | -7.38 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.99 |
| InChI Key: | DUVZSZAGQRWSQJ-UHFFFAOYSA-N |