4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate
Compound characteristics
| Compound ID: | C355-0316 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-thiophenecarboxylate |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C18 H12 N4 O5 S3 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(cc2)OC(c2cccs2)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9 |
| logD: | 0.55 |
| logSw: | -4.07 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 236.4 |
| InChI Key: | PRQICFPKFYVANH-UHFFFAOYSA-N |