2-chloro-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
2-chloro-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate
Compound characteristics
Compound ID: | C146-1834 |
Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 2-furoate |
Molecular Weight: | 460.92 |
Molecular Formula: | C19 H13 Cl N4 O4 S2 |
Smiles: | CCSc1nc(NC(C(=C/c2ccc(c(c2)[Cl])OC(c2ccco2)=O)\C#N)=O)sn1 |
Stereo: | ACHIRAL |
logP: | 4.69 |
logD: | 4.01 |
logSw: | -5.13 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 203.73 |
InChI Key: | VABHJTWEPHAJRC-UHFFFAOYSA-N |