4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | C355-1208 |
| Compound Name: | 4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl methanesulfonate |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C17 H18 N4 O7 S3 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)OC)OS(C)(=O)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.96 |
| logD: | -0.39 |
| logSw: | -3.8 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 289.13 |
| InChI Key: | HIIKWUSHYWGINC-UHFFFAOYSA-N |