4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | C356-0635 |
| Compound Name: | 4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C15 H14 N4 O6 S3 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)OS(C)(=O)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.91 |
| logD: | -0.44 |
| logSw: | -3.54 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 290.83 |
| InChI Key: | LORZPGODSNSSJR-UHFFFAOYSA-N |