2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C356-0351 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-thiophenecarboxylate |
| Molecular Weight: | 524.98 |
| Molecular Formula: | C19 H13 Cl N4 O6 S3 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(c1OC(c1cccs1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.03 |
| logD: | 1.67 |
| logSw: | -5.09 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 246.46 |
| InChI Key: | AFPKSJGNMYPKOH-UHFFFAOYSA-N |