2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 3,4-dimethoxybenzoate
2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | C277-4749 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 547.01 |
| Molecular Formula: | C23 H19 Cl N4 O6 S2 |
| Smiles: | COc1ccc(cc1OC)C(=O)Oc1c(cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.12 |
| logD: | 4.45 |
| logSw: | -6.56 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 235.22 |
| InChI Key: | HNQZEPAJJHYYRX-UHFFFAOYSA-N |