2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | C356-0638 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate |
| Molecular Weight: | 506.96 |
| Molecular Formula: | C16 H15 Cl N4 O7 S3 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OS(C)(=O)=O)OC)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.56 |
| logD: | 0.2 |
| logSw: | -3.57 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 284.79 |
| InChI Key: | WUJNFNFBIHTTRT-UHFFFAOYSA-N |