2-chloro-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 3-methoxybenzoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 3-methoxybenzoate
2-chloro-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C355-0348 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 3-methoxybenzoate |
| Molecular Weight: | 548.98 |
| Molecular Formula: | C22 H17 Cl N4 O7 S2 |
| Smiles: | COc1cccc(c1)C(=O)Oc1c(cc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.89 |
| logD: | 1.54 |
| logSw: | -4.7 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 258.37 |
| InChI Key: | GYPXGARBHLDXPR-UHFFFAOYSA-N |