4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | C356-0176 |
| Compound Name: | 4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C15 H14 N4 O7 S3 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.99 |
| logD: | -1.37 |
| logSw: | -2.3 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 306.09 |
| InChI Key: | PHCCBCLFOJMHSD-UHFFFAOYSA-N |