2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | C355-1337 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl methanesulfonate |
| Molecular Weight: | 490.96 |
| Molecular Formula: | C16 H15 Cl N4 O6 S3 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OS(C)(=O)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.73 |
| logD: | 0.38 |
| logSw: | -3.93 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 269.81 |
| InChI Key: | JSVAROQOKXDSRP-UHFFFAOYSA-N |