2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate
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 2-furoate
2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C146-0726 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate |
| Molecular Weight: | 476.92 |
| Molecular Formula: | C19 H13 Cl N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OC(c1ccco1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.74 |
| logD: | 4.07 |
| logSw: | -5.75 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.27 |
| InChI Key: | RHXYFNDKIBKGSM-UHFFFAOYSA-N |