4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methyl-1-benzenesulfonate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methyl-1-benzenesulfonate
4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methyl-1-benzenesulfonate
Compound characteristics
| Compound ID: | C356-0042 |
| Compound Name: | 4-(2-cyano-3-{[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl 4-methyl-1-benzenesulfonate |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C20 H16 N4 O6 S3 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.32 |
| logD: | 0.97 |
| logSw: | -4.17 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 300.96 |
| InChI Key: | AMBIAIJASLGYLJ-UHFFFAOYSA-N |