4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-methoxybenzoate

Chemical Structure Depiction of
4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-methoxybenzoate
Available: 67 mg
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mg
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Compound characteristics

Compound ID: C277-4713
Compound Name: 4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 4-methoxybenzoate
Molecular Weight: 482.54
Molecular Formula: C22 H18 N4 O5 S2
Smiles: COc1ccc(cc1)C(=O)Oc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC
Stereo: ACHIRAL
logP: 4.56
logD: 3.88
logSw: -5.45
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 230.43
InChI Key: GTOHSNNENYAWRZ-UHFFFAOYSA-N
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