2-chloro-4-(2-cyano-3-{[3-(isobutylsulfanyl)-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-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate
2-chloro-4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate
Compound characteristics
| Compound ID: | C277-6765 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl 2-furoate |
| Molecular Weight: | 519 |
| Molecular Formula: | C22 H19 Cl N4 O5 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2cc(c(c(c2)[Cl])OC(c2ccco2)=O)OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.94 |
| logD: | 5.26 |
| logSw: | -7.24 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 218.74 |
| InChI Key: | CEWTUYJLUPZQLB-UHFFFAOYSA-N |