4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | C277-0030 |
| Compound Name: | 4-(2-cyano-3-{[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C16 H16 N4 O4 S3 |
| Smiles: | CC(C)Sc1nc(NC(C(=C/c2ccc(cc2)OS(C)(=O)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6 |
| logD: | 2.93 |
| logSw: | -4.55 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 252.97 |
| InChI Key: | ZWIRSMXYUJGQPI-UHFFFAOYSA-N |