2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-furoate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-furoate
2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-furoate
Compound characteristics
Compound ID: | C356-0767 |
Compound Name: | 2-chloro-4-(2-cyano-3-{[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-6-ethoxyphenyl 2-furoate |
Molecular Weight: | 536.97 |
Molecular Formula: | C21 H17 Cl N4 O7 S2 |
Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)cc(c1OC(c1ccco1)=O)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.12 |
logD: | 1.77 |
logSw: | -5 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 245.36 |
InChI Key: | QKXJTLXTMUXQIU-UHFFFAOYSA-N |