4-(2-cyano-3-{[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-methyl-1-benzenesulfonate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-methyl-1-benzenesulfonate
4-(2-cyano-3-{[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-methyl-1-benzenesulfonate
Compound characteristics
| Compound ID: | C355-0526 |
| Compound Name: | 4-(2-cyano-3-{[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-methyl-1-benzenesulfonate |
| Molecular Weight: | 548.61 |
| Molecular Formula: | C22 H20 N4 O7 S3 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OS(c2ccc(C)cc2)(=O)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.56 |
| logD: | 1.2 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 285.83 |
| InChI Key: | GKNWVHABWWPYCQ-UHFFFAOYSA-N |