4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl methanesulfonate

Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl methanesulfonate
Available: 122 mg
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mg
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Compound characteristics

Compound ID: C355-0967
Compound Name: 4-(2-cyano-3-{[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-ethoxyphenyl methanesulfonate
Molecular Weight: 514.6
Molecular Formula: C19 H22 N4 O7 S3
Smiles: CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(CC(C)C)(=O)=O)=O)ccc1OS(C)(=O)=O
Stereo: ACHIRAL
logP: 2.64
logD: 0.29
logSw: -3.97
Hydrogen bond acceptors count: 15
Hydrogen bond donors count: 1
Polar surface area: 283.07
InChI Key: SCTGBNQXCMUWQD-UHFFFAOYSA-N
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