4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | C355-0175 |
| Compound Name: | 4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate |
| Molecular Weight: | 428.46 |
| Molecular Formula: | C14 H12 N4 O6 S3 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(cc2)OS(C)(=O)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.13 |
| logD: | -1.22 |
| logSw: | -2.33 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 291.77 |
| InChI Key: | LJURIEFHQFFLIG-UHFFFAOYSA-N |